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IIS Univ
  • Admissions

    It is a University which is committed to excellence and overall development of the student...

  • Placements

    Excellent education not only imparts knowledge, but also paves the way for...

  • Life@IIS Univ

    Life @ IISU is nothing less than a kaleidoscope of myriad hues; complete with...

  • Academics

    Taking the age-old tradition of enlightenment through education forward,...

  • Research

    To stimulate curiosity and cater to the global needs of a dynamic education,...

  • About Us

    The IIS University, with its perfect amalgamation of innovation, inspiration...

IIS (Deemed to be University)

Gurukul Marg, SFS, Mansarovar, Jaipur 302020, (Raj.) India

Phone:- +91-141-2400160-61, 2397906-07,

Fax: 2395494,2781158, Toll Free No.: 1800 180 7750

Chemistry - Semester IV https://chemistry.iisuniv.ac.in/semester/semester-iv en Advanced Chemical Kinetics https://chemistry.iisuniv.ac.in/courses/subjects/advanced-chemical-kinetics-9 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY425C</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>acquire knowledge about kinetics of some special reactions and different techniques of fast reaction, understand the different type of PES and molecular reaction dynamics.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="103%"> <thead> <tr> <th colspan="2" scope="col" style="width: 25.3%; height: 23px;"> <p align="center"><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 30.52%; height: 23px;"> <p align="center"><strong>Learning outcome</strong></p> <p align="center"><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 22.86%; height: 23px;"> <p align="center"><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 21.32%; height: 23px;"> <p align="center"><strong>Assessment Strategies</strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.86%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:13.44%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.86%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY425 C</strong></p> </td> <td style="width:13.44%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Advanced Chemical Kinetics</strong><strong> (Theory)</strong></p> </td> <td style="width:30.52%;"> <p>CO200 Derive rate law for atom and radical combination, solid state, polymerization, electron transfer reaction and understand methods for the kinetic studies of fast reactions.</p> <p>CO201 Establish rate law for catalytic reactions using steady state approximation and equilibrium treatment.</p> <p>CO202 Describe adsorption phenomena for surface reaction, and establish rate law for unimolecular and bimolecular surface reaction.</p> <p>CO203 Interpret a reaction coordinate diagram (potential energy surface) and theoretically deduce reaction pathways employing the molecular beam method.</p> <p>CO204 Explain kinetics of photochemical reactions.</p> <p>CO205 Contribute effectively in course-specific interaction.</p> </td> <td style="width:22.86%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:21.32%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <p>&nbsp;</p> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even"> Kinetics of Some Special Reactions</div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Kinetics and mechanism of atom and radical combination reactions, kinetics of solid-state reactions, polymerization reaction, electron transfer reactions.</p> <p>Fast reactions: Introduction, study of different techniques for fast reactions, flow techniques, relaxation techniques (including derivations), flash photolysis, shock tubes.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">Kinetics of Catalyzed Reactions</div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>General catalytic mechanism: Equilibrium treatment, steady state treatment, activation energies for catalyzed reactions.&nbsp;</p> <p>Acid-base catalysis: Mechanism, catalytic activity and acid base strength, acidity functions.</p> <p>Enzyme catalysis: Michaelis-Menten mechanism, influence of substrate concentration, influence of pH, influence of temperature, transient phase kinetics.</p> <p>Micellar catalysis, phase transfer catalysis, kinetics of inhibition.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Reactions on Surfaces </div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Competitive adsorption, non-ideal adsorption, thermodynamics and statistical mechanics of adsorption, structures of solid surfaces and adsorbed layers, mechanism of surface reactions, unimolecular surface reactions, bimolecular surface reactions, transition state theory of surface reactions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Molecular Reaction Dynamics</div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Molecular dynamical calculations: Reaction of H + H<sub>2</sub>, reaction of Br + H<sub>2</sub>. Chemiluminescence. Potential energy surfaces: Selective enhancement of a reaction, disposal of excess energy, gradual and sudden surfaces, influence of rotational energy. Molecular beams: principle of crossed molecular beams, molecular encounter and principle parameters e.g. impact parameter, collision cross-section, reaction cross section and relation between reaction cross section and reaction rate (single velocity).&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Photophysical Chemistry </div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Photochemical reactions: photochemical primary process, law of photochemical equivalence, fate of the excited molecules. Photophysical kinetics of unimolecular processes, delayed fluorescence, effect of temperature, bimolecular collisions in gases and solutions, mechanism and kinetics of quenching: Stern-Volmer equation, concentration dependence of quenching and excimer formation.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Chemical Kinetics, Third Edition; K.J. Laidler; Pearson Education Private Limited, Singapore, 2013.</li> <li>Chemical Kinetics and Reaction Dynamics, First Edition; S. K. Upadhyay; Springer Netherlands, 2010.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Kinetics and Mechanisms of Chemical Transformations; First Edition; J. Rajaram and J.C. Kuriacose; Macmillan Publisher India Ltd., New Delhi, 2011.</li> <li>Fundamentals of Photochemistry; Third Edition, K.K. Rohatgi-Mukherjee; New Age International (P) Limited, Publishers, Delhi, 2017.</li> </ol> <p style="margin-left:.25in;">&nbsp;</p> <p style="margin-left:.25in;"><strong>e-Resources:</strong></p> <ol> <li><a href="https://chem.libretexts.org/Courses/Brevard_College/CHE_301_Biochemistry/05%3A_Enzymes/5.04%3A_The_Kinetics_of_Enzymatic_Catalysis">https://chem.libretexts.org/Courses/Brevard_College/CHE_301_Biochemistry/05%3A_Enzymes/5.04%3A_The_Kinetics_of_Enzymatic_Catalysis</a></li> <li><a href="http://www2.csudh.edu/nsturm/CHE450/09_Enz.-Catalysis,%20Kinetics.htm">http://www2.csudh.edu/nsturm/CHE450/09_Enz.-Catalysis,%20Kinetics.htm</a></li> <li><a href="https://epgp.inflibnet.ac.in/epgpdata/uploads/epgp_content/S000005CH/P000665/M018695/ET/1515662178CHE_P10_M32_etext.pdf">https://epgp.inflibnet.ac.in/epgpdata/uploads/epgp_content/S000005CH/P000665/M018695/ET/1515662178CHE_P10_M32_etext.pdf</a></li> <li><a href="https://epgp.inflibnet.ac.in/Home/ViewSubject?catid=13G8VouhmrFfuhs6rkiyTA==">https://epgp.inflibnet.ac.in/Home/ViewSubject?catid=13G8VouhmrFfuhs6rkiyTA==</a></li> <li><a href="https://www.chem.uzh.ch/dam/jcr:571775eb-8b0e-4930-8aa4-ad0da5c11aec/FluorescenceQuenching_HS16.pdf">https://www.chem.uzh.ch/dam/jcr:571775eb-8b0e-4930-8aa4-ad0da5c11aec/FluorescenceQuenching_HS16.pdf</a></li> <li><a href="https://epgp.inflibnet.ac.in/epgpdata/uploads/epgp_content/S000005CH/P000663/M010519/ET/1454932575CHE_P8_M34_e-Text.pdf">https://epgp.inflibnet.ac.in/epgpdata/uploads/epgp_content/S000005CH/P000663/M010519/ET/1454932575CHE_P8_M34_e-Text.pdf</a>.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Wed, 04 Jun 2025 04:52:15 +0000 ruchi.singh@iisuniv.ac.in 1996 at https://chemistry.iisuniv.ac.in Solid State and Nanotechnology https://chemistry.iisuniv.ac.in/courses/subjects/solid-state-and-nanotechnology-6 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY424C</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>acquire with the concept of solid-state chemistry and super conductors, gain knowledge to use various diffraction methods in structural analysis and to understand the different aspects of nano materials.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="103%"> <thead> <tr> <th colspan="2" scope="col" style="width: 30.26%; height: 23px;"> <p align="center"><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 25.56%; height: 23px;"> <p><strong>Learning outcome</strong></p> <p><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 22.86%; height: 23px;"> <p><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 21.32%; height: 23px;"> <p><strong>Assessment Strategies </strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.86%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:18.4%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.86%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY424 C</strong></p> </td> <td style="width:18.4%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Solid State and Nanotechnology </strong></p> <p align="center"><strong>&nbsp;(Theory)</strong></p> </td> <td style="width:25.56%;"> <p>CO194 Create inorganic solids through solid state reactions and assess their properties.</p> <p>CO195 Analyze crystal structures using X-ray crystallography, interpret diffraction patterns, and understand cryo-electron microscopy and diffraction principles.</p> <p>CO196 Discuss doping in semiconductor, p-n junctions, LEDs, and superconductivity basics.</p> <p>CO197 Discuss nanotechnology principles, nanomaterial types, and diverse fabrication methods.</p> <p>CO198 Explain the properties of nanomaterials, their stabilization techniques and applications.</p> <p>C0199 Contribute effectively in course-specific interaction.</p> </td> <td style="width:22.86%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:21.32%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <ul> <li align="left">&nbsp;</li> </ul> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">10.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even"> Solid State Reactions and Preparative Methods of Inorganic Solids</div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Introduction to the solid state reactions, electrical, optical, magnetic and thermal properties of inorganic materials, general principles, experimental procedures, co-precipitation as a precursor to solid state reactions.</p> <p>Preparative methods of inorganic solids-crystallization of solutions, glasses, gels and melts, vapour phase transport methods, electrochemical reduction methods, preparation of thin films, growth of single crystals, high pressure and hydrothermal methods.&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">X-ray Diffraction</div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Laue method, Bragg method, Debye-Scherrer method of X-ray structural analysis of crystals, Miller indices, identification of unit cells from systematic absences in diffraction pattern, structure of simple lattices and X-ray intensities, structure factor and its relation to intensity and electron density, phase problem; procedure of X-ray structure analysis.</p> <p>Cryo-electron microscopy, electron diffraction and neutron diffraction (brief idea).</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">11.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Electronic Properties and Band Theory </div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Semiconductors: Influence of doping on band gap, applications, p-n junction, photovoltaic cell and solar conversion.</p> <p>Optical properties: Optical reflectance, photoconduction-photoelectric effects, principle of LED, LCD.</p> <p>Superconductivity: Meissner effect, critical temperature and critical magnetic field &ndash; type I and II superconductors, ternary oxides- structure of 123 oxides (Y-Ba-Cu-O), BCS theory of superconductivity, Cooper pair electron.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">13.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Introduction to Nanomaterials </div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Emergence in nanotechnology, types of nanomaterials, zero dimensional, one dimensional, two dimensional, advanced nanomaterials.</p> <p>Fabrication methods- bottom up and top down approach, solution phase and vapor phase synthesis,</p> <p>Physical methods- physical vapour deposition (evaporation, sputtering and plasma processing methods), chemical vapour deposition, epitaxial growth method, ball miling, lithography.</p> <p>Chemical methods- sol-gel process, reduction method, self-assembly method, coprecipitation, microemulsion, solvothermal, microwave synthesis, evaporation, template synthesis, sonochemical synthesis, radiation assisted synthesis, chemical etching.</p> <p>Biological methods- synthesis using microorganism, biological templates, plants and plant extracts.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">14.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Properties and Applications of Nanomaterials</div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Properties of nanomaterials: Structural properties, electronic properties, magnetic properties, electrical properties, optical properties, mechanical properties. Surface energy controlling the different properties of nanomaterials.</p> <p>Stabilization of nanoparticles: Electrostatic and steric stabilization of nanoparticles, quantum confinement effect, nanocatalyst.</p> <p>Carbon nanomaterials- fullerenes, graphenes, nanotubes.</p> <p>Applications and social impact- Energy-solar photovoltaics, solar thermal collectors, fuel cells, hydrogen storage, defense, nanomedicines.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li align="left">Introduction to Nanotechnology, First Edition; R. Singh and S. M. Gupta; Oxford University Press, 2016.</li> <li>Principles of the Solid State, First Edition; H.V. Keer; New Age International (P) Limited, New Delhi, 2017.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Solid State Chemistry and its Applications; Second Edition, A.R. West; Wiley, Singapore, 2014.</li> <li>Solid State Chemistry, Second Revised Edition; D.K. Chakrabarty; New Age International (P) Limited, New Delhi, 2011.</li> <li>An Introduction to Nanomaterials and Nanoscience, A. K. Das, M. Das; CBS Publishers and Distributors Private Limited, 2014.</li> </ol> <p style="margin-left:.25in;">&nbsp;</p> <p style="margin-left:.25in;"><strong>e-Resources:</strong></p> <ol> <li align="left"><a href="https://www.youtube.com/watch?v=fM-9xW418TI">https://www.youtube.com/watch?v=fM-9xW418TI</a> (Band Theory)</li> <li align="left"><a href="https://www.youtube.com/watch?v=qUEbxTkPIWI">https://www.youtube.com/watch?v=qUEbxTkPIWI</a> (Introduction to Nanomaterials)</li> <li align="left"><a href="https://nptel.ac.in/courses/118104008">https://nptel.ac.in/courses/118104008</a> (NPTEL Course on Introduction to Nanomaterials)</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Wed, 04 Jun 2025 04:47:22 +0000 ruchi.singh@iisuniv.ac.in 1995 at https://chemistry.iisuniv.ac.in Advanced Electrochemistry https://chemistry.iisuniv.ac.in/courses/subjects/advanced-electrochemistry-9 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY423C</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>get acquainted with the advanced aspects of electrochemistry and understand the mechanism and processes of battery, fuel cell, corrosion and electro-catalysis.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="103%"> <thead> <tr> <th colspan="2" scope="col" style="width: 30.64%; height: 23px;"> <p><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 25.18%; height: 23px;"> <p><strong>Learning outcome</strong></p> <p><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 22.86%; height: 23px;"> <p><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 21.32%; height: 23px;"> <p><strong>Assessment Strategies </strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.86%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:18.78%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.86%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY423 C</strong></p> </td> <td style="width:18.78%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Advanced Electrochemistry </strong></p> <p align="center"><strong>&nbsp;(Theory)</strong></p> </td> <td style="width:25.18%;"> <p>CO188 Discuss the characteristics of energy storage devices and explain different type of batteries.</p> <p>CO189 Illustrate the concept of corrosion, corrosion inhibition, passivation and apply thermodynamics to discuss the stability of a metal.</p> <p>CO190 Describe the principle of different type of fuel cells, their properties and applications.</p> <p>CO191 Explain the concept, mechanism, types and factors affecting electrocatalysis.</p> <p>CO192 Appraise electrochemical phenomenon related to the environment and electrochemical sensors.</p> <p>CO193 Contribute effectively in course-specific interaction.</p> </td> <td style="width:22.86%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:21.32%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <ul> <li align="left">&nbsp;</li> </ul> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even"> Electrochemical Energy Storage </div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Properties of electrochemical energy devices- Discharge plot, Ragone plot, measure of battery performance, charging and discharging of batteries, electrochemical capacitors as energy storage device, storage density<strong>, </strong>energy density.</p> <p>Classical Batteries- (i) Lead Acid (ii) Nickel &ndash;Cadmium (iii) Zinc &ndash; Manganese dioxide</p> <p>Modern Batteries- (i) Zinc- Air (ii) Nickel &ndash; Metal Hydride (iii) Lithium Battery (iv) Lithium ion Battery.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">Corrosion </div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Electrochemical corrosion of metals, thermodynamics and stability of metals, potential&ndash;pH (or Pourbaix) diagrams, uses and abuses, corrosion current and corrosion potential- Evans diagram.</p> <p>Measurement of corrosion rate- weight loss method and electrochemical method.</p> <p>Inhibition of corrosion- cathodic and anodic protection (i) by addition of substances to the electrolytic environment (ii) by charging corroding metal from external source, organic inhibition: Fuller story, green inhibitors.</p> <p>Passivation- nature of the passive layer, structure of the passive film, methods of passivation, depassivation, localized corrosion.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Fuel Cells </div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Electrochemical generators (Fuel Cells)- efficiency, kinetics of fuel cell reactions, types of fuel cells- alkaline fuel cell, phosphoric acid fuel cell, high temperature fuel cell, solid polymer electrolyte fuel cell, direct MeOH fuel cell, molten carbonate fuel cell, solid oxide fuel cell, applications of fuel cells. &nbsp;</p> <p>Energy options: Hydrogen economy, introduction, hydrogen production, hydrogen transmission, storage and distribution, hydrogen fueled equipment, local electricity production from hydrogen, hazards and safety aspects of hydrogen.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Electrocatalysis </div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Chemical catalysis and electrocatalysis, cathodic and anodic electro catalysis, electrocatalysis and adsorption effects, mechanism of electrocatalysis, volcanoes, metal electrodes-influence of the nature of the metal, influence of surface state and structure, highly dispersed metal catalyst, binary and multicomponent metal catalysts (metal alloys and atoms), non-metallic catalysts, metal complexes with organic ligands.</p> <p>Bio catalysis: Enzymes, immobilization, practical application of enzymes as electrode.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Environmentally Oriented Electrochemistry and Electrochemical Sensors </div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Environmentally oriented electrochemistry- electrochemistry of water splitting, superelectrolyzers, photo electrochemical splitting of water, solar hydrogen production, fixing of CO<sub>2</sub>, mechanism of CO<sub>2</sub> reduction, photochemical reduction of CO<sub>2, </sub>removal of wastes. Electrochemical decontamination of soil.</p> <p>Electrochemical sensors: Enzyme based sensors, affinity biosensors, gas sensors.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Modern Electrochemistry Vol. I, II A &amp; II B, Second Edition; J. O&rsquo;M. Bockris and K.N. Reddy; Kluwer Academic Publishers, New York, 2001.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Fundamentals of Electrochemistry; Second Edition; V. S. Bagotsky; John Wiley and Sons, 2006.</li> <li>Advanced Physical Chemistry, Eighteenth Edition; J. N. Gurtu and A. Gurtu, Pragati Prakashan, Meerut 2015.</li> <li>Fuel cell Handbook, Seventh Edition; US Department of Energy, National Energy Technology Laboratory, West Virginia, 2004.</li> <li>Analytical Electrochemistry, Third Edition; J Wang; Wiley VCH, 2006.</li> </ol> <p style="margin-left:.25in;">&nbsp;</p> <p style="margin-left:.25in;">e-Resources:</p> <ol> <li><a href="https://nptel.ac.in/courses/113105102">https://nptel.ac.in/courses/113105102</a></li> <li><a href="https://nptel.ac.in/courses/121106014">https://nptel.ac.in/courses/121106014</a> (Week 10, 11, 12)</li> <li><a href="https://archive.nptel.ac.in/courses/103/108/103108162/">https://archive.nptel.ac.in/courses/103/108/103108162/</a></li> <li><a href="https://nptel.ac.in/courses/113104082">https://nptel.ac.in/courses/113104082</a></li> </ol> <p>&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Wed, 04 Jun 2025 04:42:50 +0000 ruchi.singh@iisuniv.ac.in 1994 at https://chemistry.iisuniv.ac.in Computational Chemistry https://chemistry.iisuniv.ac.in/courses/subjects/computational-chemistry-39 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY422C</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>gain the knowledge of different methods, techniques and basic concepts of computational chemistry so that the students will be able to use computational chemistry to solve inorganic chemistry, organic chemistry and physical chemistry.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="109%"> <thead> <tr> <th colspan="2" scope="col" style="width: 27.04%; height: 23px;"> <p align="center"><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 31.22%; height: 23px;"> <p><strong>Learning outcome</strong></p> <p><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 21.58%; height: 23px;"> <p><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 20.14%; height: 23px;"> <p><strong>Assessment Strategies </strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.2%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:15.86%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.2%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY422 C</strong></p> </td> <td style="width:15.86%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Computational Chemistry </strong><strong>&nbsp;&nbsp;(Theory)</strong></p> </td> <td style="width:31.22%;"> <p>CO140 Describe the scope of computational chemistry and discuss molecular mechanics and electronic structure methods.</p> <p>CO141 Discuss post Hartree-Fock theory of computational chemistry.</p> <p>CO142 Describe the concept of basis Set, potential energy surface and the terms related to DFT calculations.</p> <p>CO143 Discuss the applications of Density Functional Theory (DFT) to determine chemical and thermodynamic properties.</p> <p>CO144 Develop expertise in analysing phase transformations including structural changes, optical properties, phase diagrams, and thermodynamic influences.</p> <p>CO145 Contribute effectively in course-specific interaction.</p> </td> <td style="width:21.58%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:20.14%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <p>&nbsp;</p> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even"> Computational Chemistry I </div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Introduction, Scope of computational chemistry.</p> <p>Molecular mechanics / force field methods, the force field energy, advantages and limitations of molecular mechanics methods.</p> <p>Electronic Structure Methods: The Schrödinger equation, molecular Hamiltonian, Born-Oppenheimer approximation, self-consistent field theory, Koopmans&rsquo; theorem, Hartee-Fock theory, restricted and unrestricted Hartree-Fock, the variation principle, SCF techniques, Rootham-Hall equation, semi-empirical methods: AM1, MNDO-PM3, limits and advantages of semi-empirical methods.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">10.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">Computational Chemistry II</div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Excited slater determinants, Configuration Interaction (CI), Multi-configuration Self-consistent Field (MCSCF), Complete Active Space Self-consistent Field (CASSCF), Møller-Plesset perturbation theory, Coupled Cluster (CC) methods, density functional theory, local density methods, gradient corrected methods, hybrid methods.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Computational Chemistry III</div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>slater and Gaussian type orbitals, split-valence sets, polarization and diffuse functions, classification of basis sets, even- and well-tempered basis sets, Pople style basis sets, Dunning-Huizinga basis sets, correlation consistent basis sets, extrapolation procedures, effective core potential basis sets.&nbsp;</p> <p>Introduction to Potential Energy Surface(PES), local minimum, global minimum, and saddle point, convergence criteria, transition structures, frequency calculations, zero-point corrections, thermo chemistry, Intrinsic Reaction Coordinate (IRC) analysis(giving suitable example), calculation of activation and reaction enthalpies, isodesmic and isogyric reactions.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">14.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Applications of Computational Chemistry I</div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Relative stabilities of cyclopropane, oxirane, azirane and phosphirane, aromaticity indices: Julg concept, aromatic stabilization energies (ASE), nucleus independent chemical shift (NICS) values, magnetic susceptibility exaltation, <sup>1</sup>H NMR chemical shift values of cyclopropenium cation, cyclopentadienyl anion, cyclobutadiene (antiaromatic) and benzene, electron affinity, electrophilicity and nucleophilicity indices, chemical potential.</p> <p>Application of DFT to thermodynamic properties, geometrics, charges (e.g.- glycine cation), dipole moment, electrostatic potential (acetyl chloride &amp; acetamide), calculation of NMR parameters in transition metal complexes, application of Hybrid-DFT to Homogenous catalysis.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Applications of Computational Chemistry II </div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Phase Transformations: Definition and significance. Structural properties and optical properties of ZnS, Hydrostatic Pressure and Phase Transformation: Effects on the structural properties, Phase transformations under hydrostatic pressure. Calculation of pressure-dependent energy profiles.</p> <p>Descriptors for Phase Transformation: Determination of transition pressures and temperatures, Analysis of structural changes, such as bond lengths, angles, and coordination environments under pressure, Calculation of bandgap and density of states, for different phases. Optical Properties: Calculation of absorption spectra and refractive index. Phase Diagram and Phase Stability: Construction and interpretation, Phase stability and phase coexistence regions, Thermodynamic factors governing phase transformations.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Exploring Chemistry with Electronic Structure Methods, J. B. Foresman and A. Frisch, Gaussian, Inc.</li> <li>Introduction to Computational Chemistry, F.Jensen; John wiley &amp;sons, 2001.</li> </ol> <p style="margin-left:.25in;">&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Ab Initio Molecular Orbital Theory, W.J. Hehre, L. Radom, P.R. Schleyerand J. Pople; John Wiley.</li> <li>Computational Chemistry, A.C. Norrin; John Wiley&amp; Sons.</li> </ol> <p style="margin-left:.25in;"><strong>e-Resources:</strong></p> <ol> <li align="left"><a href="http://vergil.chemistry.gatech.edu/notes/hf-intro/hf-intro.pdf">http://vergil.chemistry.gatech.edu/notes/hf-intro/hf-intro.pdf</a> (Unit I)</li> <li align="left"><a href="http://www.physics.metu.edu.tr/~hande/teaching/741-lectures/lecture-04.pdf">http://www.physics.metu.edu.tr/~hande/teaching/741-lectures/lecture-04.pdf</a> (Unit I)</li> <li align="left"><a href="https://www.ch.imperial.ac.uk/harrison/Teaching/DFT_NATO.pdf">https://www.ch.imperial.ac.uk/harrison/Teaching/DFT_NATO.pdf</a> (Unit II)</li> <li><a href="http://users.df.uba.ar/dmitnik/estructura3/bases/biblio/SFSU-ElectronicStructure-Lect-3.pdf">http://users.df.uba.ar/dmitnik/estructura3/bases/biblio/SFSU-ElectronicStructure-Lect-3.pdf</a> (Unit III)</li> <li><a href="https://nptel.ac.in/courses/104105128">https://nptel.ac.in/courses/104105128</a> (See Lecture 35 &amp; 36 for Unit III)</li> <li><a href="https://pubs.rsc.org/en/content/articlelanding/2013/ob/c3ob40337h">https://pubs.rsc.org/en/content/articlelanding/2013/ob/c3ob40337h</a> (Unit IV)</li> <li align="left"><a href="https://www.sciencedirect.com/science/article/abs/pii/S0022369709000249">Pressure-induced phase transition in wurtzite ZnS: An ab initio constant pressure study - ScienceDirect</a> (Unit V)</li> <li align="left"><a href="https://www.tandfonline.com/doi/full/10.1080/01411594.2017.1350958">Full article: Phase transition of ZnS at high pressures and temperatures (tandfonline.com)</a> (Unit V)</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Wed, 04 Jun 2025 04:37:56 +0000 ruchi.singh@iisuniv.ac.in 1993 at https://chemistry.iisuniv.ac.in Synthetic Strategies in Organic Chemistry https://chemistry.iisuniv.ac.in/courses/subjects/synthetic-strategies-organic-chemistry-5 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY426B</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>gain advanced knowledge in synthetic organic and green chemistry so that the learner can suggest alternative reagents and reactions for performing desired organic transformations.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="103%"> <thead> <tr> <th colspan="2" scope="col" style="width: 27.06%; height: 23px;"> <p align="center"><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 31.4%; height: 23px;"> <p><strong>Learning outcome</strong></p> <p><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 22.86%; height: 23px;"> <p><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 18.68%; height: 23px;"> <p><strong>Assessment Strategies </strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.86%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:15.2%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.86%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY426B</strong></p> </td> <td style="width:15.2%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Synthetic Strategies in Organic Chemistry (Theory)</strong></p> </td> <td style="width:31.4%;"> <p>CO182 Plan an organic synthesis using suitable reagents to understand a range of more sophisticated approaches to synthesis (building on the knowledge from previous years).</p> <p>CO183 Apply reduction methods&nbsp; involving main group and transition metal reagents for the synthesis of complex organic compounds.</p> <p>CO184 Predict the newer synthetic tools for the selection of one type of reagent and reaction conditions over another in terms of efficacy in relation to a particular synthetic problem.</p> <p>CO185 Solve the mechanistic problems in a facile manner using the prescribed organocatalysts.</p> <p>CO186 Analyze the environmental impacts of chemistry and apply the green chemical tools, for cleaner environment and energy.</p> <p>CO187 Contribute effectively in course-specific interaction.</p> </td> <td style="width:22.86%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:18.68%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <p>&nbsp;</p> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">14.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even"> Oxidation Reactions</div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Metal-based and non-metal based oxidations of-</p> <ol style="list-style-type:lower-alpha;"> <li>Alkenes to alcohols/carbonyls-hydroboration-oxidation, chiral boranes, Wacker oxidation, &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; SeO<sub>2</sub>/ selenium oxidants, chromium based oxidation.</li> <li>Alkenes to epoxides (peroxides/per acids based)-Sharpless asymmetric epoxidation, Jacob- Katsuki epoxidation, Shi epoxidation.</li> <li>Alkenes to diols (manganese, osmium based)- Sharpless asymmetric dihydroxylation, &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Prevost reaction and Woodward modification.</li> <li>Ketones to ester/lactones- Baeyer- Villiger.</li> <li>Alcohols to carbonyls- Corey-Kim oxidation, Dess-Martin oxidation, Swern oxidation. &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Manganese, aluminium, hypervalent iodine and TEMPO based reagents.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">Reduction Reactions </div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><ol style="list-style-type:lower-alpha;"> <li>Catalytic hydrogenation (Homogeneous hydrogenation: Wilkinson, Noyori asymmetric &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; hydrogenation, stereo and enantioselective hydroboration.</li> <li>Metal based reductions: Li and Na in liquid ammonia, Birch reduction, Mc Murry, acyloin &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; formation</li> <li>Hydride transfer reagents.</li> <li>NaBH<sub>4</sub>, triacetoxyborohydride, L-selectride, K-selectride, Luche reduction; LiAlH<sub>4</sub>, DIBAL-H, &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; and Red-Al, trialkylsilanes and trialkylstannane, Meerwein-Pondorff-Verley reduction, &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Clemmensen and Wolff-Kishner reduction.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">13.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Newer Synthetic Reactions-I</div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><ol style="list-style-type:lower-alpha;"> <li>Metal mediated C- C and C-X coupling reactions: Suzuki, Heck. Stille, Sonogashira cross &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; coupling, Buchwald-Hartwig amination and Negishi, Kumada coupling reactions. Umpolung.</li> <li>C=C Formation Reactions: Wittig reactions and its modifications, Shapiro, Bamford-&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Stevens. Julia-Lythgoe olefination and Peterson&rsquo;s stereoselective olefination, phosphorus, &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; sulphur and nitrogen ylides, Stork-enamine reaction.</li> <li>Multicomponent Reactions: Mannich, Biginelli, Hantzsch, Passerini. Ugi reaction.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">10.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Newer Synthetic Reactions-II</div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><ol style="list-style-type:lower-alpha;"> <li>Ring Formation Reactions: Pausan-Khand reaction, Bergman cyclisation, Nazarov &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; cyclisation.</li> <li>Click Chemistry: Criteria for Click reaction, Sharpless azide cycloadditions.</li> <li>Olefin metathesis: Shrock&rsquo;s, Grubb&rsquo;s 1<sup>st</sup> and 2<sup>nd</sup> generation catalyst. Grubb-Hoveyda catalyst, olefin cross metathesis (OCM), ring closing metathesis (RCM), ring opening &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; metathesis (ROM) and applications.</li> </ol> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">11.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Organocatalysis</div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Definition, generic modes, classification.</p> <p>Covalent organocatalysis : Secondary amines via enamine, imine, imim ion, amidines, guanidines, Lewis base catalysis, nitrogen heterocyclic carbenes (NHC), synthesis, structure, catalysis-homo-and cross-benzoin condensation, Stetter reaction, hydrosilylation of styrenes, transesterification.</p> <p>Noncovalent organocatalysis, hydrogen bonding catalysis, thiourea based catalysts, Diols- TADDOL.</p> <p>Phosphorus containing organocatalysts: Triphenylphosphine, Binol-derived phosphoric acids, cyclic diphosphazanes, phosphonates.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Organic Chemistry, Second edition; J. Clayden, N. Greeves, S. Warren; Oxford University Press, United Kingdom, 2012.</li> <li>Advanced Organic Chemistry: Reactions, Mechanisms and Structure, Seventh Edition; J. March; John Wiley and Sons Asia Private Limited, New Delhi, 2015.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Advanced Organic Chemistry Part A &amp; B, Fifth Edition; F. A. Carey and R. J. Sundberg; Springer, US, 2007.</li> <li>A Guidebook to Mechanism in Organic Chemistry, Sixth Edition; P. Sykes; Pearson Education, Delhi, 2011.</li> <li>Reaction Mechanism in Organic Chemistry, Third Edition; S. M. Mukherjee and S. Singh; Macmillan India Ltd., New Delhi, 2003.</li> <li>Mechanism and Theory in Organic Chemistry; Third Edition; T.H. Lowry; Addison&ndash; Wesley Publishing Company, 1999.</li> <li>Organic Chemistry; Fifth Edition; S.H. Pine; Tata McGraw Hill Publishing Company,2007.</li> <li>Modern Methods of Organic Synthesis; Fourth Edition; W. Carruthers; Cambridge Univ. Press, UK, 2005.</li> <li>Principles of Asymmetric Synthesis; Second Edition; R. Gawley and J. Aube; New York: Pergamon Press, 2012.</li> </ol> <p style="margin-left:.25in;">&nbsp;</p> <p style="margin-left:.25in;"><strong>e-Resources:</strong></p> <ol> <li><a href="https://hwpi.harvard.edu/files/myers/files/6-oxidation.pdf">https://hwpi.harvard.edu/files/myers/files/6-oxidation.pdf</a> (Oxidation Reactions)</li> <li align="left"><a href="https://www.vanderbilt.edu/AnS/Chemistry/Rizzo/chem223/Oxidations.pdf">https://www.vanderbilt.edu/AnS/Chemistry/Rizzo/chem223/Oxidations.pdf</a> (Oxidation Reactions)</li> <li><a href="https://hwpi.harvard.edu/files/myers/files/5-reduction.pdf">https://hwpi.harvard.edu/files/myers/files/5-reduction.pdf</a> (Reduction Reactions)</li> <li><a href="https://nptel.ac.in/courses/104103067">https://nptel.ac.in/courses/104103067</a> (Organocatalysis)</li> <li><a href="https://application.wiley-vch.de/books/sample/352730715X_c01.pdf">https://application.wiley-vch.de/books/sample/352730715X_c01.pdf</a> (Green Chemistry)</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Wed, 04 Jun 2025 04:31:29 +0000 ruchi.singh@iisuniv.ac.in 1992 at https://chemistry.iisuniv.ac.in Computational Chemistry https://chemistry.iisuniv.ac.in/courses/subjects/computational-chemistry-38 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY422B</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>gain the knowledge of different methods, techniques and basic concepts of computational chemistry so that the students will be able to use computational chemistry to solve inorganic chemistry, organic chemistry and physical chemistry.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="109%"> <thead> <tr> <th colspan="2" scope="col" style="width: 27.04%; height: 23px;"> <p align="center"><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 31.22%; height: 23px;"> <p><strong>Learning outcome</strong></p> <p><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 21.58%; height: 23px;"> <p><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 20.14%; height: 23px;"> <p><strong>Assessment Strategies </strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.2%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:15.86%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.2%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY422 B</strong></p> </td> <td style="width:15.86%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Computational Chemistry </strong><strong>&nbsp;&nbsp;(Theory)</strong></p> </td> <td style="width:31.22%;"> <p>CO140 Describe the scope of computational chemistry and discuss molecular mechanics and electronic structure methods.</p> <p>CO141 Discuss post Hartree-Fock theory of computational chemistry.</p> <p>CO142 Describe the concept of basis Set, potential energy surface and the terms related to DFT calculations.</p> <p>CO143 Discuss the applications of Density Functional Theory (DFT) to determine chemical and thermodynamic properties.</p> <p>C0144 Develop expertise in analysing phase transformations including structural changes, optical properties, phase diagrams, and thermodynamic influences.</p> <p>C0145 Contribute effectively in course-specific interaction.</p> </td> <td style="width:21.58%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:20.14%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <p>&nbsp;</p> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even"> Computational Chemistry I </div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Introduction, Scope of computational chemistry.</p> <p>Molecular mechanics / force field methods, the force field energy, advantages and limitations of molecular mechanics methods.</p> <p>Electronic Structure Methods: The Schrödinger equation, molecular Hamiltonian, Born-Oppenheimer approximation, self-consistent field theory, Koopmans&rsquo; theorem, Hartee-Fock theory, restricted and unrestricted Hartree-Fock, the variation principle, SCF techniques, Rootham-Hall equation, semi-empirical methods: AM1, MNDO-PM3, limits and advantages of semi-empirical methods.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">10.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">Computational Chemistry II</div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Excited slater determinants, Configuration Interaction (CI), Multi-configuration Self-consistent Field (MCSCF), Complete Active Space Self-consistent Field (CASSCF), Møller-Plesset perturbation theory, Coupled Cluster (CC) methods, density functional theory, local density methods, gradient corrected methods, hybrid methods.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Computational Chemistry III</div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>slater and Gaussian type orbitals, split-valence sets, polarization and diffuse functions, classification of basis sets, even- and well-tempered basis sets, Pople style basis sets, Dunning-Huizinga basis sets, correlation consistent basis sets, extrapolation procedures, effective core potential basis sets.&nbsp;</p> <p>Introduction to Potential Energy Surface(PES), local minimum, global minimum, and saddle point, convergence criteria, transition structures, frequency calculations, zero-point corrections, thermo chemistry, Intrinsic Reaction Coordinate (IRC) analysis(giving suitable example), calculation of activation and reaction enthalpies, isodesmic and isogyric reactions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">14.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Applications of Computational Chemistry I</div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Relative stabilities of cyclopropane, oxirane, azirane and phosphirane, aromaticity indices: Julg concept, aromatic stabilization energies (ASE), nucleus independent chemical shift (NICS) values, magnetic susceptibility exaltation, <sup>1</sup>H NMR chemical shift values of cyclopropenium cation, cyclopentadienyl anion, cyclobutadiene (antiaromatic) and benzene, electron affinity, electrophilicity and nucleophilicity indices, chemical potential.</p> <p>Application of DFT to thermodynamic properties, geometrics, charges (e.g.- glycine cation), dipole moment, electrostatic potential (acetyl chloride &amp; acetamide), calculation of NMR parameters in transition metal complexes, application of Hybrid-DFT to Homogenous catalysis.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Applications of Computational Chemistry II</div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Phase Transformations: Definition and significance. Structural properties and optical properties of ZnS, Hydrostatic Pressure and Phase Transformation: Effects on the structural properties, Phase transformations under hydrostatic pressure. Calculation of pressure-dependent energy profiles.</p> <p>Descriptors for Phase Transformation: Determination of transition pressures and temperatures, Analysis of structural changes, such as bond lengths, angles, and coordination environments under pressure, Calculation of bandgap and density of states, for different phases. Optical Properties: Calculation of absorption spectra and refractive index. Phase Diagram and Phase Stability: Construction and interpretation, Phase stability and phase coexistence regions, Thermodynamic factors governing phase transformations.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Exploring Chemistry with Electronic Structure Methods, J. B. Foresman and A. Frisch, Gaussian, Inc.</li> <li>Introduction to Computational Chemistry, F.Jensen; John wiley &amp;sons, 2001.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Ab Initio Molecular Orbital Theory, W.J. Hehre, L. Radom, P.R. Schleyerand J. Pople; John Wiley.</li> <li>Computational Chemistry, A.C. Norrin; John Wiley&amp; Sons.</li> </ol> <p style="margin-left:.25in;"><strong>e-Resources:</strong></p> <ol> <li align="left"><a href="http://vergil.chemistry.gatech.edu/notes/hf-intro/hf-intro.pdf">http://vergil.chemistry.gatech.edu/notes/hf-intro/hf-intro.pdf</a> (Unit I)</li> <li align="left"><a href="http://www.physics.metu.edu.tr/~hande/teaching/741-lectures/lecture-04.pdf">http://www.physics.metu.edu.tr/~hande/teaching/741-lectures/lecture-04.pdf</a> (Unit I)</li> <li align="left"><a href="https://www.ch.imperial.ac.uk/harrison/Teaching/DFT_NATO.pdf">https://www.ch.imperial.ac.uk/harrison/Teaching/DFT_NATO.pdf</a> (Unit II)</li> <li><a href="http://users.df.uba.ar/dmitnik/estructura3/bases/biblio/SFSU-ElectronicStructure-Lect-3.pdf">http://users.df.uba.ar/dmitnik/estructura3/bases/biblio/SFSU-ElectronicStructure-Lect-3.pdf</a> (Unit III)</li> <li><a href="https://nptel.ac.in/courses/104105128">https://nptel.ac.in/courses/104105128</a> (See Lecture 35 &amp; 36 for Unit III)</li> <li><a href="https://pubs.rsc.org/en/content/articlelanding/2013/ob/c3ob40337h">https://pubs.rsc.org/en/content/articlelanding/2013/ob/c3ob40337h</a> (Unit IV)</li> <li align="left"><a href="https://www.sciencedirect.com/science/article/abs/pii/S0022369709000249">Pressure-induced phase transition in wurtzite ZnS: An ab initio constant pressure study - ScienceDirect</a> (Unit V)</li> <li align="left"><a href="https://www.tandfonline.com/doi/full/10.1080/01411594.2017.1350958">Full article: Phase transition of ZnS at high pressures and temperatures (tandfonline.com)</a> (Unit V)</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Tue, 03 Jun 2025 09:19:12 +0000 ruchi.singh@iisuniv.ac.in 1991 at https://chemistry.iisuniv.ac.in Biomolecules and Bio-Organic Chemistry https://chemistry.iisuniv.ac.in/courses/subjects/biomolecules-and-bio-organic-chemistry-15 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY425B</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>endow with the knowledge of the structure-function relationship of biomolecules, and their importance with regard to maintenance and perpetuation of living systems.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="103%"> <thead> <tr> <th colspan="2" scope="col" style="width: 27.16%; height: 23px;"> <p><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 28.66%; height: 23px;"> <p><strong>Learning outcome</strong></p> <p><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 22.86%; height: 23px;"> <p><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 21.32%; height: 23px;"> <p><strong>Assessment Strategies </strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.86%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:15.3%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.86%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY425 B</strong></p> </td> <td style="width:15.3%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Biomolecules and Bio-Organic Chemistry</strong><strong> (Theory)</strong></p> </td> <td style="width:28.66%;"> <p>CO176 Discuss the properties and functions of enzymes and outline mechanisms of enzyme catalyzed reactions.</p> <p>CO177 Describe major pathways of carbohydrate metabolism.</p> <p>CO178 Recognize the structures and functions of amino acids and proteins.</p> <p>CO179 Analyse the different roles of fat and describe the structure, biosynthesis, oxidation and storage of fatty acids.</p> <p>CO180 Learn the structure and functions of&nbsp; RNA and DNA and interpret the structure-function relationships of the proteins, carbohydrates, lipids, and nucleic acids.</p> <p>CO181 Contribute effectively in course-specific interaction</p> </td> <td style="width:22.86%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:21.32%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <p>&nbsp;</p> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">14.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even"> Enzymes </div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Remarkable properties of enzymes like catalytic power, specificity and regulation, nomenclature and classification. Fischer&#39;s lock and key and Koshland&#39;s induced fit hypothesis. Enzyme kinetics: Michaelis-Menten and Lineweaver-Burk plots, Bisubstrate reactions. Enzyme inhibition. Factors affecting enzyme catalysis. Examples of some typical enzyme mechanisms for Chymotrypsin, Ribonuclease, Lysozyme, &amp; Carboxipeptidase A.</p> <p>Affinity labeling and enzyme modification by site-directed mutagenesis.</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">Carbohydrate Metabolism </div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Structure &amp; classification of carbohydrates. Glycolysis, fate of pyruvate under anaerobic conditions, citric acid cycle, oxidative phosphorylation (electron transport system), gluconeogenesis and glucogenolysis, C4 pathway, pentose phosphate pathway and photosynthesis: C3, C4 &amp; CAM pathway.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Protein Metabolism and Disorders </div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Classification of amino acids. Degradation of amino acids (C3, C4, C5 family), urea cycle, uric acid and ammonia formation. Proteins (Structure and Functions): primary, secondary, tertiary and quaternary structure. Extraction and purification techniques.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Lipids</div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Classification and nomenclature of Fatty acids, Classification, Structure and functions of lipids. Biosynthesis of saturated and unsaturated fatty acids, Ketone bodies, membrane lipids-cholesterol, phospholipid and glycolipid, biosynthesis of fat soluble vitamins, biosynthesis of Eicosonoids (prostaglandin, leucotriens and thromboxane). Metabolism of Lipid and fat bodies: Beta-oxidation and channelling of the products to ATP production: minor pathway of fatty acid oxidation: alpha and omega oxidation.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">10.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Nucleic Acids </div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Chemical and enzymatic hydrolysis, structure and functions of DNA, RNA (m-RNA, t-RNA, r-RNA), an overview of gene expression (replication, transcription and translation), genetic code (origin, Wobble hypothesis and other important features).</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li align="left">Biochemistry, Second edition; D.Voet and J.G.Voet; John Wiley &amp; Sons, 1995.</li> <li align="left">Voet&#39;s Principles of Biochemistry, Global Edition; D.Voet, J. G. Voet, C. W. Pratt ;&nbsp; Wiley, 2018</li> <li>Lehninger Principles of Biochemistry International Edition, Seventh Edition; D.L. Nelson and Michael Cox; W.H. Freeman &amp; Co.; 2017.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Bioorganic Chemistry: A Chemical Approach to Enzyme Action, Third Edition; H. Dugas; Springer, New York,2012.</li> <li>Biochemistry, Ninth Edition; L. Stryer; W.H. Freeman &amp; Company, 2019.</li> <li>Biochemistry and Molecular Biology, third edition; W.H. Elliot and Daphne C. Elliot; Oxford University Press, 2005</li> <li>Principles and Techniques in Biochemistry and Molecular Biology, sixth edition; K. Wilson and J.Walker; Cambridge University Press, 2007.</li> </ol> <p>&nbsp;</p> <p><strong>e-Resources:</strong></p> <ol> <li align="left"><a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4692135/">Enzymes: principles and biotechnological applications - PMC (nih.gov)</a></li> <li align="left"><a href="https://pubmed.ncbi.nlm.nih.gov/20221916/">Enzyme databases - PubMed (nih.gov)</a></li> <li align="left"><a href="https://www.sciencedirect.com/topics/neuroscience/enzymes">Enzymes - an overview | ScienceDirect Topics</a></li> <li align="left"><a href="https://www.genome.gov/genetics-glossary/Enzyme">Enzyme (genome.gov)</a></li> </ol> <p>&nbsp;</p> <p align="left">&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Tue, 03 Jun 2025 08:53:44 +0000 ruchi.singh@iisuniv.ac.in 1989 at https://chemistry.iisuniv.ac.in Natural Products and Medicinal Chemistry https://chemistry.iisuniv.ac.in/courses/subjects/natural-products-and-medicinal-chemistry-6 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY424B</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>describe the process of identification and isolation of natural products, their chemical synthesis, biological activities, ecological relevance and possible applications in the fields of pharmacology using selected examples. It also aims to introduce students with the fundamental concepts of drug discovery and development emphasizing specific classes of drugs.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="103%"> <thead> <tr> <th colspan="2" scope="col" style="width: 25.3%; height: 23px;"> <p><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 30.52%; height: 23px;"> <p><strong>Learning outcome</strong></p> <p><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 22.86%; height: 23px;"> <p><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 21.32%; height: 23px;"> <p><strong>Assessment Strategies </strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.86%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:13.44%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.86%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY424 B</strong></p> </td> <td style="width:13.44%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Natural Products and Medicinal Chemistry (Theory)</strong></p> </td> <td style="width:30.52%;"> <p>CO170 Discuss the structure,&nbsp; properties and stereochemistry of prescribed terpenoids &amp; carotenoids.</p> <p>CO171 Explain different techniques&nbsp;&nbsp; used for the structure elucidation of alkaloids along with the structure and physiological actions of the stipulated alkaloids.</p> <p>CO172 Deduce the structure of complex natural products like steroids and appraise their biological properties.</p> <p>CO173 Describe the key concepts and strategies used during drug discovery, development and mode of action.</p> <p>CO174 Explain&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; the importance of quantitative structure-activity relationship (QSAR) as a potential source for rational drug design in brief.</p> <p>CO175 Contribute effectively in course-specific interaction.</p> </td> <td style="width:22.86%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:21.32%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <p>&nbsp;</p> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even"> Terpenoids &amp; Carotenoids</div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Classification,nomenclature,occurrence,generalmethodsofstructuredetermination,isoprene rule; Structure determination, stereochemistry and synthesis of the following representative molecules- citral, geraniol, menthol andβ-Carotene.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">Alkaloids </div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Definition, nomenclature, physiological action, occurrence, general methods of structure elucidation, degradation, classification based on nitrogen heterocyclic ring. Structure, stereochemistry and synthesis of the following: Ephedrine, (+)-Nicotine and Morphine.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Steroids</div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Occurrence, nomenclature, basic skeleton, Diels- hydrocarbon and stereochemistry. Structure</p> <p>determination and synthesis of cholesterol, androsterone, testosterone, estrone.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Medicinal Chemistry I </div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Introduction to drugs, discovery, development and delivery, agonists and antagonists, relation of drug structure and its chemical and biological properties.</p> <p>Structure-activity and quantitative relationship. Drug targets.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Medicinal Chemistry II </div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>General introduction and mode of action of- antiviral, antibiotics and anti-AIDS drugs, anti-inflammatory, analgesics, antihistamines, anti-hypertensive and anti-cancer drugs.</p> <p>General study of hormones, classification based on solubility and structures, mode of action of water soluble and fat-soluble messengers.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Organic Chemistry, Vol II; Sixth Edition; I.L. Finar; Pearson Education, New Delhi, 2013.</li> <li>Wilson and Gisvold&rsquo;s Textbook of Organic Medicinal and Pharmaceutical Chemistry, Twelfth Edition, Wolters Kluwer India Pvt. Ltd., 2010.</li> <li>Burgers&rsquo;s Medicinal Chemistry and Drug Discovery, Sixth Edition, D.J. Abraham, Wiley- Blackwell, 2003.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Introduction to Medicinal Chemistry, First Edition; A Gringauz, Wiley-VCH, 1996.</li> <li>Organic Chemistry, Sixth Edition; R. T. Morrison, R. N. Boyd; Pearson Education India, New Delhi, 2017.</li> <li>An Introduction to Drug Design, Second Edition, S. N. Pandeya and J.R. Dimmock, New Age International, 2019.</li> <li>Goodmann and Gilman&rsquo;s Pharmacological Basis of Therapeutics, Thirteenth Edition, Laurence L. Brunton, Mc-Graw Hill, 2017.</li> <li>The Organic Chemistry of Drug Design and Drug Action, Third Edition, R. B. Silverman, Academic Press, 2014.</li> <li>Strategies for Organic Drug Synthesis and Design, Second Edition; D. Lednicer, Wiley-Blackwell, 2008.</li> </ol> <p style="margin-left:.25in;">&nbsp;</p> <p style="margin-left:.25in;"><strong>e-Resources:</strong></p> <ol> <li align="left"><a href="http://oms.bdu.ac.in/ec/admin/contents/1_16SCCCH8_2020051904202312.pdf">http://oms.bdu.ac.in/ec/admin/contents/1_16SCCCH8_2020051904202312.pdf</a> (Natural Products)</li> <li align="left"><a href="http://www.pharmacy180.com/group/medicinal-chemistry-6/">http://www.pharmacy180.com/group/medicinal-chemistry-6/</a> (Medicinal Chemistry)</li> </ol> <p>&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Tue, 03 Jun 2025 08:37:40 +0000 ruchi.singh@iisuniv.ac.in 1987 at https://chemistry.iisuniv.ac.in Heterocyclic Chemistry https://chemistry.iisuniv.ac.in/courses/subjects/heterocyclic-chemistry-12 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY423B</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>&nbsp;</p> <p>gain the knowledge about the structures, syntheses, reactions, and properties of the major classes of heterocyclic compounds.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="103%"> <thead> <tr> <th colspan="2" scope="col" style="width: 26.5%; height: 23px;"> <p><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 31.1%; height: 23px;"> <p align="center"><strong>Learning outcome</strong></p> <p align="center"><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 22.86%; height: 23px;"> <p><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 19.54%; height: 23px;"> <p><strong>Assessment Strategies </strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.86%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:14.64%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.86%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY423 B</strong></p> </td> <td style="width:14.64%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Heterocyclic Chemistry (Theory)</strong></p> </td> <td style="width:31.1%;"> <p>CO164 Explain the systematic nomenclature and general behavior of aromatic heterocyclic compounds.</p> <p>CO165 Discuss conformational analysis of heterocycles along with the associated changes in small ring heterocycles due to strain involved.</p> <p>CO166 Describe the synthesis and mechanisms of reactions involving small ring heterocycles.</p> <p>CO167 Appraise the synthesis and reactivity of the prescribed benzo-fused five-membered heterocycles &amp; meso ionic compounds.</p> <p>CO168 Discuss the reactions and properties of six membered heterocycles having one or more hetero atoms.</p> <p>CO169 Contribute effectively in course-specific interaction.</p> </td> <td style="width:22.86%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:19.54%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <p>&nbsp;</p> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even">Introduction and Nomenclature of Heterocycles </div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Replacement and systematic nomenclature (Hantzsch-Widman system) for monocyclic, fused and bridgedheterocycles.</p> <p>General chemical behavior of aromatic heterocycles, classification (structural type), criteria of aromaticity (bond lengths, ring current and chemical shifts in 1H NMR-spectra, empirical resonance energy, delocalization energy and Dewar resonance energy, diamagnetic susceptibility exaltations), heteroaromatic reactivity and tautomerism in aromatic heterocycles.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">Conformational Analysis of Non-Aromatic Heterocycles </div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Strain-bond angle, torsional strains and their consequences in small ring heterocycles. Conformation of six-membered heterocycles with reference to molecular geometry. Barrier to ring inversion, pyramidal inversion and 1,3-diaxial interaction, stereo-electronic effects- anomeric and related effects, attractive interactions, hydrogen bonding and intermolecular nucleophilic-electrophilic interactions.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Small Ring Heterocycles </div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Three-membered and four membered heterocycles-synthesis and reactions of aziridines, oxiranes, thiiranes, azetidines, oxetanes and thietanes, five membered heterocycles-synthesis and reactions of different isomers of diazoles (pyrazoles, imidazoles), oxazoles, thiazoles, 1,2,4- triazole, oxadiazole, thiadiazole, 1,2,3,4-tetrazole.</p> <p>Porphyrins and applications.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Benzo-Fused Five-Membered &amp; Meso Ionic Heterocycles </div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><h2>&nbsp;</h2> <p>Synthesis and reactions including medicinal applications of benzopyrroles, benzofurans and benzothiophenes.</p> <p>Meso-ionic heterocycles-classification, chemistry of some important meso-ionic type-A and B heterocycles and their applications.</p> <p>Sydnones.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Six Membered Heterocycles </div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>With one heteroatom: Synthesis and reactions of pyrilium salts and pyrones and their comparison with pyridinium, thiopyrylium salts and pyridones, synthesis and reactions of quinolizinium and benzopyrylium salts, coumarins and chromones.</p> <p>With two or more heteroatoms: Synthesis and reactions of diazines, triazines, tetrazines and thiazines. Some important macroheterocycles.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Heterocyclic Chemistry Vol. I &amp; II, First Edition; R.R. Gupta and M. Kumar; Springer (India) Pvt. Ltd., 2011.</li> <li>Heterocyclic Chemistry, Fifth Edition; J.A. Joule and K.Mills; Wiley-Blackwell, London, 2013.</li> <li>Heterocyclic Chemistry, Third Edition; T.L. Gilchrist; Pearson Education,Delhi,2005.</li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>An Introduction to the Chemistry of Heterocyclic Compounds, Third Edition; R.M. Acheson; Wiley Eastern Ltd, New Delhi,1976.</li> <li>Contemporary Heterocyclic Chemistry, First Edition, G.R. Newkome and W.W. Paudler, Wiley Interscience, 1982.</li> </ol> <p style="margin-left:.25in;">&nbsp;</p> <p style="margin-left:.25in;"><strong>e-Resources:</strong></p> <ol> <li><a href="https://nptel.ac.in/courses/104105034">https://nptel.ac.in/courses/104105034</a></li> <li><a href="http://www.chem.gla.ac.uk/staff/stephenc/teaching/HeterocycleLectures2011_2C12.pdf">http://www.chem.gla.ac.uk/staff/stephenc/teaching/HeterocycleLectures2011_2C12.pdf</a></li> <li><a href="https://baranlab.org/wp-content/uploads/2018/09/Mesoionic-Compounds.pdf">https://baranlab.org/wp-content/uploads/2018/09/Mesoionic-Compounds.pdf</a> (Mesoionic Compounds)</li> </ol> <p>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Tue, 03 Jun 2025 08:32:55 +0000 ruchi.singh@iisuniv.ac.in 1986 at https://chemistry.iisuniv.ac.in Supramolecular and Photoinorganic Chemistry https://chemistry.iisuniv.ac.in/courses/subjects/supramolecular-and-photoinorganic-chemistry-6 <div class="field field-name-field-paper-code field-type-text field-label-inline clearfix"><div class="field-label">Paper Code:&nbsp;</div><div class="field-items"><div class="field-item even">25CHY425A</div></div></div><div class="field field-name-field-credits field-type-text field-label-inline clearfix"><div class="field-label">Credits:&nbsp;</div><div class="field-items"><div class="field-item even">4</div></div></div><div class="field field-name-field-periods field-type-number-decimal field-label-inline clearfix"><div class="field-label">Contact Hours:&nbsp;</div><div class="field-items"><div class="field-item even">60.00</div></div></div><div class="field field-name-field-maxmarks field-type-number-decimal field-label-inline clearfix"><div class="field-label">Max. Marks:&nbsp;</div><div class="field-items"><div class="field-item even">100.00</div></div></div><div class="field field-name-field-objective field-type-text-long field-label-above"><div class="field-label">Objective:&nbsp;</div><div class="field-items"><div class="field-item even"><p><strong>This course will enable the students to </strong></p> <p>get acquainted with the host guest chemistry of supramolecules and the basics of photoinorganic chemistry.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-course-outcomes field-type-text-with-summary field-label-above"><div class="field-label">Course Outcomes:&nbsp;</div><div class="field-items"><div class="field-item even"><table border="1" cellpadding="0" cellspacing="0" id="tab" style="width: 100%" width="103%"> <thead> <tr> <th colspan="2" scope="col" style="width: 29.66%; height: 23px;"> <p><strong>Course</strong></p> </th> <th rowspan="2" scope="col" style="width: 27.94%; height: 23px;"> <p><strong>Learning outcome</strong></p> <p><strong>(at course level)</strong></p> </th> <th rowspan="2" scope="col" style="width: 22.86%; height: 23px;"> <p><strong>Learning and Teaching Strategies</strong></p> </th> <th rowspan="2" scope="col" style="width: 19.54%; height: 23px;"> <p><strong>Assessment Strategies </strong></p> </th> </tr> </thead> <tbody> <tr> <td style="width:11.86%;height:23px;"> <p align="center"><strong>Course Code</strong></p> </td> <td style="width:17.8%;height:23px;"> <p align="center"><strong>Course</strong></p> <p align="center"><strong>Title</strong></p> </td> </tr> <tr> <td style="width:11.86%;"> <p>&nbsp;</p> <p align="center"><strong>25CHY425 A</strong></p> </td> <td style="width:17.8%;"> <p align="center">&nbsp;</p> <p align="center"><strong>Supramolecular and Photoinorganic Chemistry</strong><strong> (Theory)</strong></p> </td> <td style="width:27.94%;"> <p>CO158 Explain the fundamental concepts of supramolecular chemistry and classify types of host-guest compounds and different supramolecular interactions.</p> <p>CO159 Compare various types of binding in supramolecules and infer different types of molecular recognitions.</p> <p>CO160 Develop an understanding about the applications of supramolecules.</p> <p>CO161&nbsp;Discuss reaction conditions for different types of photoinorganic transformations.</p> <p>CO162&nbsp;Summarize physical properties of electronic excited states.</p> <p>CO163&nbsp;Contribute effectively in course-specific interaction.</p> </td> <td style="width:22.86%;"> <p><strong>Approach in teaching:</strong></p> <p>Interactive lectures, tutorials, group discussions and e-learning.</p> <p>&nbsp;</p> <p><strong>Learning activities for the students:</strong></p> <p>Peer learning, e- learning, problem solving through tutorials and group discussions.</p> <p>&nbsp;</p> <p>&nbsp;</p> </td> <td style="width:19.54%;"> <p>Written examinations,</p> <p>Assignments, Quiz</p> <p>&nbsp;</p> </td> </tr> </tbody> </table> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit1hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">15.00</div></div></div><div class="field field-name-field-unit1title field-type-text field-label-above"><div class="field-label">Unit I:&nbsp;</div><div class="field-items"><div class="field-item even"> Supramolecular Chemistry-I</div></div></div><div class="field field-name-field-unit1description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Definition and development of supra molecular chemistry, nature of supramolecular interactions (ion pairing, ion-dipole, dipole-dipole, dipole-induced dipole and ion-induced dipole, van der Waals or dispersion, hydrogen bonding, cation-π, anion- π,&nbsp; closed shell, π - π stacking). classification of host-guest compounds, pre-organisation and complementarity- thermodynamic and kinetic effects.</p> <p>Cation Binding: Complexation by crown ether, cryptands (spherical and tetrahedral recognition), spherands, lariat ethers and podands, recognition of ammonium ions, synthesis- template effect and high dilution, biological significance- valinomycin and nonactin.</p> <p>Anion Binding: Basic concepts of anion binding, cyclophanes and guanidinium-based receptors,neutral receptors- zwitterions, amide-based receptors, biological significance- phosphate and sulphate binding properties.</p> <p>Binding and recognition of neutral molecules.</p> <p>&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit2hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">11.00</div></div></div><div class="field field-name-field-unit2title field-type-text field-label-above"><div class="field-label">Unit II:&nbsp;</div><div class="field-items"><div class="field-item even">Supramolecular Chemistry-II </div></div></div><div class="field field-name-field-unit2description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Coreceptor molecules and multiple recognition: Dinuclear and polynuclear metal ion cryptates, linear recognition of molecular length by ditopic coreceptors, heterotopic coreceptors- cyclophane receptors, amphiphilic receptors, large molecular cages, multiple recognition in metalloreceptors.</p> <p>Transport processes and carrier design: Cation, anion and coupled transport process.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit3hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">11.00</div></div></div><div class="field field-name-field-unit3title field-type-text field-label-above"><div class="field-label">Unit III:&nbsp;</div><div class="field-items"><div class="field-item even">Supramolecular Chemistry-III</div></div></div><div class="field field-name-field-unit3description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Supramolecular devices: Supramolecular photochemistry, supramolecular electronic, ionic and switching devices.</p> <p>Supramolecular catalysis: Supramolecular metallocatalysis, co-catalysis, bimolecular and abiotic catalysis.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit4hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">11.00</div></div></div><div class="field field-name-field-unit4title field-type-text field-label-above"><div class="field-label">Unit IV:&nbsp;</div><div class="field-items"><div class="field-item even">Photoinorganic Chemistry -I </div></div></div><div class="field field-name-field-unit4description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Photochemical laws, physical properties of the electronically exited states- dipole moment, acid base strengths, redox potential, geometry of some electronically exited molecules, Wigner&rsquo;s spin conservation rule, lifetime of excited electronic states of atoms and molecules.</p> <p>&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-unit5hours field-type-number-decimal field-label-hidden"><div class="field-items"><div class="field-item even">12.00</div></div></div><div class="field field-name-field-unit5title field-type-text field-label-above"><div class="field-label">Unit V:&nbsp;</div><div class="field-items"><div class="field-item even">Photoinorganic Chemistry–II</div></div></div><div class="field field-name-field-unit5description field-type-text-long field-label-hidden"><div class="field-items"><div class="field-item even"><p>Photochemical reactions of octahedral complexes of Cr(III): Some properties of ligand field excited states and energy level diagrams, photosubstitution (aquation) reactions of Cr(III) complexes, photosubstitution, photoisomerisation and photoredox reactions of square planar complexes of Pt(II), photochemical splitting of water and photochemistry of [Ru(bpy)<sub>3</sub>]<sup>+2</sup>, TiO<sub>2</sub> as an important photocatalyst.</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-essential-reading field-type-text-long field-label-above"><div class="field-label">Essential Readings:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Supramolecular Chemistry, Second Edition; J. W. Steed, J. L. Atwood; Wiley, New York,2009.</li> <li>Elements of Inorganic Photochemistry, First Edition;&nbsp; GJ. Ferraudi; John Wiley and Sons, 1988.</li> </ol> <p style="margin-left:.25in;">&nbsp;</p> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-references field-type-text-long field-label-above"><div class="field-label">References:&nbsp;</div><div class="field-items"><div class="field-item even"><ol> <li>Supramolecular Chemistry: Concepts and Perspectives, First Edition; J.M. Lehn; VCH Publishers, 2014.</li> <li>Bioorganic, Bioinorganic and Supramolecular Chemistry, Third Edition; P. S. Kalsi, J. P. Kalsi; New Age International, New Delhi,2017.&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</li> <li>Fundamentals of Photochemistry, Third Edition; K.K. Rohatgi-Mukherjee; New Age International (P) Ltd., New Delhi,2007.</li> <li>Concepts of Inorganic Photochemistry; A. W. Adamson and P. D. Fleischaur, John Wiley &amp; Sons, 1984.</li> <li>An Introduction to Supramolecular Chemistry, First Edition; A. Das, M. Das; CBS Publishers and Distributors Pvt Ltd, New Delhi, 2017.</li> <li>Fundamental Concepts of Inorganic Chemistry, Second Edition, Volume III; A. Das, M. Das; CBS Publishers and Distributors Pvt Ltd, New Delhi, 2011.</li> </ol> <p style="margin-left:.25in;">&nbsp;</p> <p style="margin-left:.25in;"><strong>e-Resources:</strong></p> <ol> <li><a href="https://www.youtube.com/watch?v=jGDYUKCNOdk">https://www.youtube.com/watch?v=jGDYUKCNOdk</a></li> <li><a href="https://www.nobelprize.org/uploads/2018/06/lehn-lecture.pdf">https://www.nobelprize.org/uploads/2018/06/lehn-lecture.pdf</a></li> <li><a href="https://old.amu.ac.in/emp/studym/99997377.Sc._IV.pdf">https://old.amu.ac.in/emp/studym/99997377.Sc._IV.pdf</a></li> </ol> <p>&nbsp;</p> </div></div></div><div class="field field-name-field-academic-year field-type-taxonomy-term-reference field-label-above"><div class="field-label">Academic Year:&nbsp;</div><div class="field-items"><div class="field-item even"><a href="/academic-year/2025-2026" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">2025-2026</a></div></div></div> Tue, 03 Jun 2025 06:41:44 +0000 ruchi.singh@iisuniv.ac.in 1985 at https://chemistry.iisuniv.ac.in