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Postulates of quantum mechanics. Time dependent and time independent Schrödinger equations. Born interpretation. Particle in a box. Harmonic oscillator. Rigid rotor. Hydrogen atom: atomic orbitals. Multi-electron atoms: orbital approximation. Variation and first order perturbation techniques. Chemical bonding: Valence bond theory and LCAO-MO theory. Hybrid orbitals. Applications of LCAO-MOT to H2+, H2 and other homonuclear diatomic molecules, heteronuclear diatomic molecules like HF, CO, NO, and to simple delocalized π electron systems. Hückel approximation and its application to annular π – electron systems. Symmetry elements and operations. Point groups and character tables. Origin of selection rules for rotational, vibrational, electronic and Raman spectroscopy of diatomic and polyatomic molecules. Einstein coefficients. Relationship of transition moment integral with molar extinction coefficient and oscillator strength. Basic principles of nuclear magnetic resonance: nuclear g factor, chemical shift, nuclear coupling.
Laws of thermodynamics. Standard states. Thermochemistry. Thermodynamic functions and their relationships: Gibbs-Helmholtz and Maxwell relations, van’t Hoff equation. Criteria of spontaneity and equilibrium. Absolute entropy. Partial molar quantities. Thermodynamics of mixing. Chemical potential. Fugacity, activity and activity coefficients. Chemical equilibria. Dependence of equilibrium constant on temperature and pressure. Non-ideal solutions. Ionic mobility and conductivity. Debye-Hückel limiting law. Debye-Hückel-Onsager equation. Standard electrode potentials and electrochemical cells. Potentiometric and conductometric titrations. Phase rule. ClausiusClapeyron equation. Phase diagram of one component systems: CO2, H2O, S; two component systems: liquid-vapour, liquid-liquid and solid-liquid systems. Fractional distillation. Azeotropes and eutectics. Statistical thermodynamics: microcanonical and canonical ensembles, Boltzmann distribution, partition functions and thermodynamic properties.
Transition state theory: Eyring equation, thermodynamic aspects. Potential energy surfaces and classical trajectories. Elementary, parallel, opposing and consecutive reactions. Steady state approximation. Mechanisms of complex reactions. Unimolecular reactions. Kinetics of polymerization and enzyme catalysis. Fast reaction kinetics: relaxation and flow methods. Kinetics of photochemical and photophysical processes.
Surfaces and Interfaces:
Physisorption and chemisorption. Langmuir, Freundlich and BET isotherms. Surface catalysis: Langmuir-Hinshelwood mechanism. Surface tension, viscosity. Self-assembly. Physical chemistry of colloids, micelles and macromolecules.