Page 93 - CatalogNEP-LS

 Have an insight about the different spectroscopic techniques.
 Identify the different kinds of techniques for structure determination.

THEORY (45 Hours)

UNIT-I: (4 Hours)

Molecular Spectroscopy: Interaction of electromagnetic radiation with molecules and various
types of spectra; Born-Oppenheimer approximation.
UNIT-II: (5 Hours)
Rotation spectroscopy: Selection rules, intensities of spectral lines, determination of bond lengths
of diatomic and linear triatomic molecules, isotopic substitution.

UNIT-III: (10 Hours)
Vibrational spectroscopy: Classical equation of vibration, computation of force constant,
amplitude of diatomic molecular vibrations, anharmonicity, Morse potential, dissociation
energies, fundamental frequencies, overtones, hot bands, degrees of freedom for polyatomic
molecules, modes of vibration, concept of group frequencies. Vibration-rotation spectroscopy:
diatomic vibrating rotator, P, Q, R branches.

UNIT-IV: (4 Hours)
Raman spectroscopy: Qualitative treatment of Rotational Raman effect; Effect of nuclear spin,
Vibrational Raman spectra, Stokes and anti-Stokes lines; their intensity difference, rule of mutual
exclusion.

UNIT-V: (4 Hours)

Electronic spectroscopy: Franck-Condon principle, electronic transitions, singlet and triplet states,
fluorescence and phosphorescence, dissociation and predissociation, calculation of electronic
transitions of polyenes using free electron model.
UNIT-VI: (18 Hours)

Application of Spectroscopy to Simple Organic Molecules: Application of visible, ultraviolet and
Infra-red spectroscopy in organic molecules. Electromagnetic radiations and electronic transitions,
λ max& ε max, chromophore, auxochrome, bathochromic and hypsochromic shifts. Application of
electronic spectroscopy and Woodward rules for calculating λ max of conjugated dienes and α, β –
unsaturated compounds.
Infrared radiation and types of molecular vibrations, functional group and fingerprint region. IR
spectra of alkanes, alkenes and simple alcohols (inter and intramolecular hydrogen bonding),
aldehydes, ketones, carboxylic acids and their derivatives (effect of substitution on >C=O
stretching absorptions).
Nuclear Magnetic Resonance (NMR) spectroscopy: Principles of NMR spectroscopy, Larmor
precession, chemical shift and low resolution spectra, different scales, spin- spin coupling and
high resolution spectra, interpretation of PMR spectra of organic molecules.

PRACTICAL (30 Hours)

1. Study the 200-500 nm absorbance spectra of KMnO 4 and K 2Cr 2O 7 (in 0.1 M H 2SO 4) and
determine the λ max values. Calculate the energies of the two transitions in different units (J
-1
-1
-1
molecule , kJ mol , cm , eV).
2. Study the pH-dependence of the UV-Vis spectrum (200-500 nm) of K 2Cr 2O 7.

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