Coming soon
Spectroscopy III
This course will enable the students to
apprise with the instrumentation involved in the various spectroscopic techniques, understand and apply the key concepts of spectroscopy in the elucidation, characterization and inference of the relevant structural information of various known organic molecules.
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Course |
Learning outcome (at course level) |
Learning and Teaching Strategies |
Assessment Strategies |
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Course Code |
Course Title |
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24CHY324 |
Spectroscopy III (Theory) |
CO116:Interpret the mass spectral data to identify organic compounds. CO117:Calculate λmax and distinguish between the structures of simple compounds using Woodward-Feiser rules. CO118:Apply the principles of IR spectroscopy to identify the functional groups of compounds. CO119:Apply the principles of NMR to identify organic compounds. CO120:Employ the theoretical knowledge of techniques like COSY, NOSEY, HETCOR and DEPT along with 13C-NMR to identify the structures of compounds. CO121: Contribute effectively in course-specific interaction. |
Approach in teaching: Interactive lectures, tutorials, group discussions and e-learning.
Learning activities for the students: Peer learning, e- learning, problem solving through tutorials and group discussions.
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Written examinations, Assignments, Quiz
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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.
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. An introduction to fluorescence 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.
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.
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.
- 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.
- 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:
- https://epgp.inflibnet.ac.in/Home/ViewSubject?catid=13G8VouhmrFfuhs6rkiyTA==(Organic Spectroscopy)
- https://www.youtube.com/watch?v=qqylkUqd12s (UV)
- https://www.youtube.com/watch?v=_TmevMf-Zgs (IR )
- https://nptel.ac.in/courses/104108078 (NMR)
- https://nptel.ac.in/courses/104106075 (NMR)
- https://www.youtube.com/watch?v=SBir5wUS3Bo (NMR)
- https://www.youtube.com/watch?v=hSirWciIvSg (Mass)
