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Spectroscopy and Statistical Thermodynamics
Course Objectives:
This course will enable the students to –
- To make students familiar with the concepts taught in the theory paper.
Course Outcomes (COs):
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Course |
Learning outcomes (at course level) |
Learning and teaching strategies |
Assessment Strategies |
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Paper Code |
Paper Title |
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CHY 613
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Spectroscopy and Statistical Thermodynamics
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The students will be able to:
CO164: discuss qualitative and quantitative knowledge of the fundamental concepts of spectroscopy. CO165: describe principle, selection rulesand applications of rotational, vibrational, Raman, electronic and NMR spectroscopy. CO166: analyse spectroscopic data for molecular characterization. CO167: select suitable statistics for a particular system. CO168: formulate thermodynamic properties in terms of partition function and their exact values for an ideal gas. |
Approach in teaching:
Interactive Lectures
Explicit Teaching
Discussion Didactic questions Tutorials Multimedia Presentations
Demonstration
Learning activities for the students: Self learning Assignments, Peer Assessment, Concept mapping,
Think/Pair/Share, Problem Solving, Power Point Presentation, Handouts |
The oral and written examinations (Scheduled and surprise tests)
Closed book and open book tests
Quiz
Problem solving exercises
Assignments
Presentation
Semester End Examinations |
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)
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.
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.
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.
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, residual entropy, chemical potential, heat capacity of mono and diatomic gases.
- Fundamentals of Molecular Spectroscopy, Fourth Edition.; C.N. Banwell & McCash.; Tata McGraw-Hill, New Delhi, 2017.
- Modern Spectroscopy, Fourth Edition.; J.Michael Hollas; Wiley,2003.
- Spectroscopy, H.Kaur,Pragati Prakashan,2017.
- Statistical thermodynamics, Revised Second Edition; M.C Gupta; New Age International Pvt Ltd., New Delhi, 1998.
