Dr. Aniruddha Chakraborty

School of Basic Sciences

Indian Institute of Technology Mandi

Mandi, Himachal Pradesh 175001

India

ph: +(91)1905-237930

achakrab

**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^{rd}Edn., 2003.

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

5. Modern Spectroscopy, J. M. Hollas, John Wiley, 4^{th}Edn., 2004.

For IIT Mandi Students (B.Tech./M.Tech./M.S./M.Sc./Ph.D.) - You are always welcome to inquire about working on a project (irrespective of your discipline). For more details - visit my office!

Dr. Aniruddha Chakraborty

School of Basic Sciences

Indian Institute of Technology Mandi

Mandi, Himachal Pradesh 175001

India

ph: +(91)1905-237930

achakrab