Course Details
Subject {L-T-P / C} : CY3315 : Basic Physical Chemistry { 3-0-0 / 3}
Subject Nature : Theory
Coordinator : Dr. Harekrushna Sahoo
Syllabus
Part A: Quantum theory of atoms and molecules. Classical waves in 1 dimension, Schrödinger wave equation for particle in a box, harmonic oscillator, diatomic rigid rotor, hydrogen atom, basic postulates of quantum mechanics, elementary variation and perturbation theory, atoms, Hartree-Fock methods, Molecules, Born-Oppenheimer approximation, valence-bond treatments, exchange intregrals, molecular orbital theory, SCF-LCAO-MO approach, Huckel’s treatment for conjugated systems.
Part B: Theoretical Basis of molecular spectroscopy. Rigid rotor model of molecular rotation, harmonic oscillator model of molecular vibrations, intensities of rotational and vibrational spectra, vibrations in polyatomic molecules, normal coordinates, electronic spectra, selection rules. Franck Condon principles.
Course Objectives
- To understand the basic of molecular structure in terms of orientation and conformation.
- To understand the interaction between matter and light.
Course Outcomes
Understanding of molecular structure and its application towards interaction with light
Essential Reading
- Donald McQuarrie, Quantum Chemistry, Viva student , edition 2003
- Era N. Levine, Quantum Chemistry, Prentice Hall , 5th Edition
Supplementary Reading
- C. N. Banwell, E. N. McCash, Fundamentals of molecular spectroscopy, Tata McGraw-Hill , 1994
- LA Woodword, Introduction to the Theory of Molecular Vibrations and Vibrational Spectroscopy, Oxford University Press