SPECTROSCOPY II

Paper Code: 
CHY 224
Credits: 
4
Contact Hours: 
60.00
Max. Marks: 
100.00
Objective: 

Course Objectives :

The course aims to apprise the learners with the instrumentation involved in the various spectroscopic techniques, to enable them to understand and apply the key concepts of spectroscopy in the elucidation, characterization and inference of the relevant structural information of various known organic molecules.

 

Course Outcomes (COs):

Course Outcomes

Teaching Learning Strategies

Assessment Strategies

  
 

On completion of this course, students will be able to-

CO67-differentiate between instrumentation tools and techniques of Mass/IR/UV Spectrometry.

CO68-differentiate between the principles of various spectroscopic methods and work on problems of

different regions of EMR Spectrum.

CO69- identify the suitable technique for a class of molecules based on selection rules and

fundamental theory of spectroscopy.

CO70- employ the theoretical knowledge of techniques like COSY, NOSEY, HETCOR and DEPT to

differentiate between compounds of different electronic, structural and functional constitution in 13C-NMR.

CO71- interpret and distinguish between the structures of simple compounds using the Mass, IR and NMR spectra.

CO72-predict the λmax for different organic compounds using Woodward-Feiser rules.

CO73-correlate the theoretical and experimental results of spectroscopic analysis of organic molecules.

CO74-associate advanced applications like MRI with the NMR principles and theory.
  • Class lectures
  • Tutorials
  • Group discussions
  • Use of models
  • Assertion and reasoning
  • Technology enabled learning
  • Peer learning

 
  • Oral and written examinations
  • Problem solving exercises
  • Assignments
  • Quiz
  • Efficient delivery using seminar presentations
  • Group activity
  • Multiple choice questions
  • Short answer type questions
  • Assertion and reasoning
  
 

 

12.00
Unit I: 
Mass Spectrometry

Introduction, generation- EI, CI, HRMS, FD and FAB. Mass analyzer-electromagnetic field, quadrupole. Detection of molecular formula (HRMS) and determination of molecular formula, molecular ion, molecular ion peak, Nitrogen rule, isotope peak, metastable ions, Fragmentation- Basic fragmentation types and rules, factors influencing fragmentation, McLafferty rearrangement, fragmentation pattern of hydrocarbons, alcohols, ethers, ketones, aldehydes, carboxylic acids, amines, nitriles, nitro and halogenated compounds.
Self-Study: Problems of mass spectral fragmentation of organic compounds for structure determination.

 

12.00
Unit II: 
UV-Visible & Fluorescence Spectroscopy

Electronic transitions (185-800 nm), Beer-Lambert rule, hypsochromic & bathochromic shifts, effect of conjugation, solvent effects, chromophores & auxochromes, characterization of organic compounds application of Woodward-Feiser rules to conjugated dienes, α,β- unsaturated  carbonyl  compounds,  benzene and benzene derivatives, polycyclic aromatic hydrocarbons, polyenes and polyenynes, steric effects in biphenyls and applications.
Fluorescence spectroscopy- an introduction to fluorescence spectroscopy.

 

10.00
Unit III: 
IR Spectroscopy

Sampling, instrumentation and selection rules.
Quantitative studies- Force constants, relation between force constant and vibrational frequencies, an introduction to near IR Overtones, combination bands and fermi-resonance, factors affecting the shift in group frequencies- isotope effect, hydrogen bonding, solvent effect, electronic effects (inductive and mesomeric) and steric effect, different absorption regions in IR spectrum and vibrational coupling.
Characteristics functional group absorptions in organic compounds- carbon skeletal vibrations (alkanes, alkenes, alkynes, aromatic compounds), alcohols, phenols, ethers, ketones, aldehydes, carboxylic acids, amides, acid anhydrides, conjugated carbonyl compounds, esters, lactones, amines, amino acids (primary and secondary), interpretation of IR spectra of typical organic compounds.

 

12.00
Unit IV: 
Proton Magnetic Resonance Spectroscopy

 Nuclear properties, pulse technique, Fourier transform technique and its advantages, quantum number, chemical shift and factors affecting chemical shift, spin-spin interaction, factors affecting coupling constant, shielding mechanism, chemical shift values and correlation for protons bonded to carbon (aliphatic, olefinic, aldehydic and aromatic) and other nuclei (alcohols, phenols, enols, carboxylic acids, amines, amides and mercaptans), proton exchange, deuterium exchange, complex spin-spin interaction between two, three, four, and five nuclei (first order spectra).
Hindered rotation, Karplus curve- variation of coupling constant with dihedral angle, simplification of complex spectra- nuclear magnetic double resonance, contact shift reagents, variable temperature dynamic NMR spectroscopy.
Solvent effects, nuclear overhauser effect (NOE), a brief introduction of compounds carrying NMR active nuclei like ¹⁵N, ¹⁹F, ³¹P.

 

14.00
Unit V: 
13C and Advanced NMR Techniques and Combined Applications of Spectroscopic Techniques.

¹³C NMR spectroscopy- basic principles, chemical shift, (aliphatic, olefinic, alkyne, aromatic, heteroaromatic & carbonyl carbon), proton (¹H) coupled ¹³C NMR spectrum, off-resonance and noise decoupled ¹³C NMR spectrum, DEPT. 2D-NMR spectroscopy– COSY, NOESY, HETCOR. Structure elucidation of organic compounds by combined application of UV, IR, NMR and mass spectroscopy.

Essential Readings: 
  • Spectrometric Identification of Organic Compounds, Eighth Edition; R.M. Silverstein, F.X. Webster, David J. Kiemie and David L. Bryce; John Wiley and Sons, Inc., Singapore, 2014.
  • Organic Spectroscopy, Third Edition; W. Kemp; Palgrave Publisher Ltd., New York, 2004.

 

References: 

 

SUGGESTED READINGS:

  • Spectroscopic Methods in Organic Chemistry; Sixth Edition; D. H. Williams and I. Fleming; Tata McGraw Hill Publishing Company Ltd, New Delhi, 2002.
  • Structure Determination of Organic Compounds-Tables of Spectral Data; Fourth Edition;  M. Badertscher , P. Bühlmann , E. Pretsch; Springer, Berlin, Heidelberg, 2009.
  • Spectral Analysis of Organic Compounds; Second Edition; C.J. Creswell and M.M. Campbell; Burgess Publishing Company, Great Britain, 1972.

 

e-RESOURCES:

Academic Year: 
2022-2023
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