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Spectral Techniques in Organic Chemistry [1]

Paper Code: 
CHY- 612
Credits: 
3
Contact Hours: 
45.00
Max. Marks: 
100.00
9.00
Unit I: 
Basic Elements of spectroscopy & UV Spectroscopy

General principles : Different regions  of electromagnetic radiation, quantisation of energy, regions of the spectrum. Introduction to absorption and emission spectroscopy.

UV Spectroscopy: Types of electronic transitions, λmax, chromophores and auxochromes, bathochromic and hypsochromic shifts, intensity of absorption, application of Woodward Rules for calculation of λmax for the following systems: α,β unsaturated aldehydes, ketones, carboxylic acids and esters; Conjugated dienes: alicyclic, homoannular and heteroannular; Extended conjugated systems (aldehydes, ketones and dienes); Distinction between cis and trans isomers.

 

8.00
Unit II: 
IR Spectroscopy

Fundamental and non-fundamental molecular vibrations; IR absorption positions of O, N and S containing functional groups; Effect of H- bonding, conjugation, effect of resonance and ring size on IR absorptions; Fingerprint region and its significance; Overtones, Fermi resonance , Applications in functional group analysis.

 

10.00
Unit III: 
1H NMR Spectroscopy

Basic principles of Proton Magnetic Resonance, chemical shift and factors influencing it; Spin – Spin coupling and coupling constant; Anisotropic effects in alkene, alkyne, aldehydes and aromatics; Interpretation of NMR spectra of simple compounds like ethyl acetate, ethyl alcohol, acetaldehyde, 1,2 dibromo ethane, ethyl bromide etc.

 

8.00
Unit IV: 
13C NMR Spectroscopy and Combined Applications

13C NMR spectroscopy: general considerations, chemical shift, (aliphatic, olefinic, alkyne, aromatic, heteroaromatic & carbonyl carbon), proton (1H) coupled 13C NMR spectrum, off resonance (elementary idea of 2D NMR spectroscopy: COSY, NOESY NMR spectra), Structural determination of simple organic compounds using UV, IR & 1H NMR spectral data.

 

10.00
Unit V: 
Mass Spectroscopy

Introduction, instrumentation, molecular ion-production, determination of molecular  weight – molecular ion peak, base 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, nitro compounds, alicyclic and heterocyclic compounds.

 

References: 
  1. Spectrometric Identification of Organic Compounds, Sixth Edition; R.M. Silverstein and F.X. Webster; John Wiley and Sons, Inc., Singapore, 1991. Applications of Spectroscopy; Third Edition;
  2. William Kemp; Palgrave Publisher Ltd., New York, 2004.
  3. Stereochemistry: Conformation and Mechanism; Fourth Edition; P.S. Kalsi; New Age International Publishers Pvt Ltd, New Delhi, 1999.
Academic Year: 
2019-2020 [2]

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[1] https://www.my-campus.iisuniv.ac.in/courses/subjects/spectral-techniques-organic-chemistry-0
[2] https://www.my-campus.iisuniv.ac.in/academic-year/2019-2020