MCH-103: PHYSICAL CHEMISTRY-I Syllabus M.Sc. (CHEMISTRY) -1st-I Sem. Syllabus for DAVV Indore Affiliated Institutions

DEVI AHILYA VISHWAVIDYALAYA, DAVV INDORE Syllabus

M.Sc. (CHEMISTRY) First-1st-I Semester Curriculum/ Syllabus

 MCH-103: PHYSICAL CHEMISTRY-I Syllabus

Unit-I : Introduction to Exact Quantum Mechanical Results

The Schrodinger equation and the postulates of quantum mechanics. Discussion of solutions of the Schrodinger equation to some model systems viz., particle in a box, the harmonic oscillator, the rigid rotor, the hydrogen atom. Hydrogen Molecule.

 Unit-II : Approximate Methods

Variational and perturbation methods. Applications of variation method and perturbation theory to the Helium atom.

Molecular Orbital Theory

Huckel theory of conjugated systems bond and charge density calculations. Applications to ethylene, butadiene, cyclopropenyl radical cyclobutadiene. Introduction to extended Huckel
theory.

Unit-III : Chemical Thermodynamics

Partial molar Quantities: Partial molar free energy, partial molar volume and partial molar heat content, Chemical Potential and their significance. Determinations of these quantities. Concept of fugacity and determination of fugacity. Non-ideal systems : Excess function s for non-ideal solutions. Activity, activity coefficient, Debye Huckel theory for activity coefficient for electrolytic solutions; determination of activity and activity coefficients; ionic strength.

Unit-IV : Statistical Thermodynamics

Partition functions-translation, rotational, vibrational and electronic partition functions, Calculation of thermodynamic properties in terms of partition. Application of partition functions. Heat capacity behaviour of solids-chemical equilibrium and equilibrium constant in terms of partition functions, Fermi-Dirac Statistics and Bose-Einstein statistics

Books Suggested

1. J. P. Lowe and K.Peterson, Quantum Chemistry Academic Press.
2. D. A. McQuarrie, Quantum Chemistry Viva Books Pvt. Ltd.: New Delhi.
3. R. G. Mortimer, Mathematics for Physical Chemistry Elsevier.
4. F. L. Pilar, Elementary Quantum Chemistry , Dover Publication Inc.: NewYork.
5. P. W. Atkins and J. de Paula, Atkin’s Physical Chemistry , Oxford University Press.
6. I. L. Levine, Quantum Chemistry , Prentice-Hall Inc., New Jersey.
7. T. Engel and P. Reid, Physical Chemistry, Benjamin-Cummings.
8. D. A. McQuarrie and J. D. Simon, Physical Chemistry: A Molecular Approach , Univ. Science Books.
9. R. J. Silbey, R. A. Alberty and M. G. Bawendi, Physical Chemistry , Wiley.