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Chemical Sciences PAPER II
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, degeneracym, 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, Siater 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. Hybridisation and valence MO3 of H2O, NH3 and CH4. Hudket pl-electron theory and its applications to ethylene, butadience and benzene. Idea of sell-consistent fields.
4. Group theoretical representations and spectrosconic 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; enthaipies of physical and chemical changes; temperature dependence of enthaipies. Second law of thermodynamics, entropy, Gibbs-Helmoholtz equation. Third law of thermodynamics and calculation of entropy.
7. Chemical Equilibrium : Free energy and entropy of modng, partial molar quantities, Gibbs – Duhern equation. Equilibrium constant, temperature – dependence of equilibrium constant, phase diagram of one – and two – component systems, phase rule.
8. Ideal and Non-ideal eciuiions, 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 doubie layer, electode / electrolyte interface, Batteries, primary and secondary Fuel Cells, corrosion and comosion prevention.
10. Surface Phenomena : Surface tension, adscrption 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.
Chemical Sciences Part II Cont.