Spectroscopy and Statistical Thermodynamics

Paper Code: 
CHY-613
Credits: 
3
Contact Hours: 
45.00
Objective: 

Course Objectives:

This course will enable the students to –

  1.  familiarize with the concepts taught in the theory paper

 

Course Outcomes (COs):

Course

Learning outcomes

(at course level)

Learning and teaching strategies

Assessment

Strategies

Paper Code

Paper Title

 

CHY-613

 

 

 

 

 

 

 

 

Spectroscopy and Statistical Thermodynamics        

 

 

 

 

 

 

The students will be able to:

 

CO164: discuss qualitative and quantitative knowledge of the fundamental concepts of spectroscopy.

CO165: describe principle, selection rules and applications of rotational, vibrational, Raman and  electronic  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

 

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

Rotational 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, residual entropy, chemical potential, heat capacity of mono and diatomic gases.

 

References: 
  • 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.

 

Academic Year: 
2021-2022
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