IIS University

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Admissions

It is a University which is committed to excellence and overall development of the student and one where talent is nurtured and honed in the best possible manner. Come, be a part of our never-ending journey of accomplishments and accolades.

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To stimulate curiosity and cater to the global needs of a dynamic education, The IIS University - since inception - has been promoting and encouraging research-based experiential learning among all its students.

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Spectroscopy and Statistical Thermodynamics | Chemistry

Spectroscopy and Statistical Thermodynamics

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Paper Code: 
CHY - 613
Credits: 
3
Contact Hours: 
45.00
Max. Marks: 
100.00
7.00
Unit I: 
Basic Elements of Spectroscopy

Pre requisite: Interaction of electromagnetic radiation with matter. Characterization of electromagnetic radiation, quantisation of energy, Regions of the spectrum, representation of spectra, basic elements of practical spectroscopy, signal-to-noise ratio – resolving power, line width – natural line broadening, Doppler broadening, Heisenberg uncertainty principle; intensity of spectral lines – transition probability, population of states, path length of sample; Born-Oppenheimer approximation; rotational, vibrational and electronic energy levels in molecules; transition moment, selection rules, Fourier Transform methods (IR and NMR)

 

11.00
Unit II: 
Rotational and Vibrational Spectroscopy

Interaction of electromagnetic radiation with molecules and various types of spectra; Born-Oppenheimer approximation.

Rotation spectroscopy: Selection rules, intensities of spectral lines, determination of bond lengths of diatomic and linear triatomic molecules, isotopic substitution.

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.

 

 

8.00
Unit III: 
Raman and Electronic Spectroscopy

Raman spectroscopy: Qualitative treatment of Rotational Raman effect; Effect of nuclear spin, Vibrational Raman spectra, Stokes and anti-Stokes lines; their intensity difference.

Electronic spectroscopy: Franck-Condon principle, electronic transitions, singlet and triplet states, fluorescence and phosphorescence, dissociation and predissociation.

 

10.00
Unit IV: 
Introduction to Statistical Thermodynamics

Introduction, quantum mechanical aspects, common terms- canonical ensemble, occupation number, statistical weight factor, configuration, phase space, macroscopic state, microscopic; state, system, assembly and ensemble; statistical equilibrium, Boltzmann distribution law,  type of statistics, Bose-Einstein statistics, Fermi-Dirac  statistics.

 

9.00
Unit V: 
Statistical Approach to Thermodynamics Properties

Partition Function :Molecular partition function for an ideal gas, translational partition function, rotational partition function, vibrational partition function, electronic partition function, nuclear partition function

Internal energy, enthalpy, entropy, helmholtz function, pressure, Gibbs functions, Heat capacity of mono and diatomic gases

 

References: 

1. Fundamentals of Molecular Spectroscopy, Fourth Ed.; Banwell; C. N. & McCash. Tata McGraw-Hill,   New Delhi, 2011.

2. Introductory Quantum Chemistry ;Chandra A. K. ; Tata McGraw-Hill, 2001.

3. Fundamentals of Quantum Chemistry,Second Ed. ;House, J. E ;Elsevier, USA,2004.

4. Statistical thermodynamics, Second Edition; M.C Gupta; New Age International Pvt Ltd., New Delhi, 2013.

 

 

Academic Year: