1) Quantum Chemistry: Planck’s quantum theory, wave-particle duality. Uncertainty Principle, operators and commutation relations: postulates of quantum mechanics and Schrodinger equation: free particle, particle in a box, degeneracy, harmonic oscillator, rigid rotator and the hydrogen atom. Angular momentum, including spin; coupling of angular momenta including spin-orbit coupling.
2. The variation method and perturbation theory. Application to the helium atom; antisymmetry and Exclusion Principle, Slater determinantal wave functions. Terms symbols and spectroscopic states.
3 . Born-Oppenheimer approximation. Hydrogen molecule ion. LCAO-MO and VB treatments of the hydrogen molecule; electron density, forces and their role in chemical binding. Hybridization and valence MOs of H2O, NH3 and CH4. Huckel pi-electron theory and its applications to ethylene, butadiene and benzene. Idea of self-consistent fields.
4. Group theoretical representations and quantum mechanics: vanishing of integrals; spectroscopic selection rules for vibrational, electronic, vibronic and Raman spectroscopy. MO treatment of large molecules with symmetry.
5. Spectroscopy: Theoretical treatment of rotational, vibrational and electronic spectroscopy. Principles of magnetic resonance, Mossbauer and photoelectron spectroscopy.
6.Thermodynamics: First law of thermodynamics, relation between Cp. and CV; enthalpies of physical and chemical changes; temperature dependence of enthalpies. Second law of thermodynamics, entropy, Gibbs-Helmoholtz equation. Third law of thermodynamics and calculation of entropy.
7 Chemical Equilibrium: Free energy and entropy of mixing, partial molar quantities, Gibbs-Duhem equation. Equilibrium constant, temperature-dependence of equilibrium constant, phase diagram of one-and two-component systems, phase rule.
8. Ideal and Non-ideal solutions. Excess functions, activities, concept of hydration number: activities in electrolytic solutions; mean ionic activity coefficient; Debye-Huckel treatment of dilute electrolyte solutions.
9. Electrochemistry: Electrochemical cell reactions, Nernst equation, Electrode Kinetics, electrical double layer, electode/electrolyte interface, Batteries, primary & secondary Fuel Cells, corrosion and corrosion prevention.
10. Surface Phenomena: Surface tension, adsorption on solids, electrical phenomena at interfaces, including electrokinetic, micelles and reverse micelles: solubilization, micro-emulsions. Application of photoelectron spectroscopy. ESCA and Auger spectroscopy to the study of surfaces.
