Dr. Aniruddha Chakraborty

Course Details:

Module 1: Molecular symmetry and group theory

Definition of a group & basic theorems, group multiplication table, elements of a symmetry group, symmetry group classification, great orthogonality theorem, direct products, similarity transformation, characters of representations, character table, irreducible representation, symmetry adopted linear combination, bonding, group theory & molecular  electronic states.                                                                                                                                     

Module 2: Interaction of light with matter

Transition moments & transition probabilities, Einstein’s coefficients, oscillator strength, Beer-Lambert law, polarizabilities, oscillator strength, relationship between Einstein’s coefficients & total absorbance. Born-Oppenheimer approximation, Frank Condon Principles,                                                                                                                     

Module 3: Rotational and Vibrational Spectroscopy

Moment of inertia, rotational energy levels, rotational spectra of diatomic molecules, rotational Raman spectra, molecular vibrations, selection rules, vibrational spectra of diatomic molecules, simple harmonic oscillator & rigid rotor model, anharmonic corrections,  vibrational-rotational spectra, vibrational Raman spectra of diatomic molecules. Infra-red absorption spectra of polyatomic molecules, symmetric & asymmetric top molecules, normal modes of vibration & their classification by group theory, coupling between rotational & vibrational degrees of freedom.

Module 4: Combining molecular symmetry to spectroscopy

Symmetry & normal modes of vibrations, symmetry & selection rules for allowed transitions among rotational, vibrational level. Determining the symmetry of molecular motions. Group theory & molecular electronic transitions. Symmetry & selection rules, spin and parity forbidden transitions, vibronic interaction.                                                                                                                                                                                              

Suggested Books:

1. Physical Chemistry: A Molecular Approach by Donald A. McQuarrie & John D.  Simon (University science books).

2. Physical Chemistry by Peter Atkins & Julio de Paula (Oxford).

3. Chemical  Applications  of  Group  Theory,   F. A. Cotton,  John  Wiley,  3^rdEdn., 2003.

4. Molecular Symmetry and Group Theory, Alan Vincent, 2nd Edition, Wiley.

5. Modern  Spectroscopy,  J. M. Hollas,  John Wiley,  4^thEdn., 2004.