CHEMICAL 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, λ_max, chromophores and auxochromes, bathochromic and hypsochromic shifts, intensity of absorption, application of Woodward Rules for calculation of λ_max for the following systems- conjugated dienes (alicyclic, homoannular and heteroannular), α,β unsaturated carbonyls, carboxylic acids and esters.

Fundamental and non-fundamental molecular vibrations, fingerprint region and its significance, overtones, fermi resonance, Hooke’s Law, selection rules, IR absorption peaks of O, N and S containing functional groups, effect of H-bonding, conjugation, resonance and ring size on IR absorption, application of IR spectroscopy in detection of functional group in simple organic molecules.

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 aromatic compounds, interpretation of NMR spectra of simple compounds.

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.
Combined applications- structural determination of simple organic compounds using UV, IR, ¹H & ¹³C NMR spectral data.

Introduction, instrumentation, generation of ions- EI, CI, FD and FAB methods, 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.