Syllabus
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Course Code: CHEM 304 Course Name: Physical Chemistry Special-I |
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| MODULE NO / UNIT | COURSE SYLLABUS CONTENTS OF MODULE | NOTES |
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| 1 | Quantum Mechanics-I Problem of two electrons, exchange interactions. Approximate methods: First order time-independent perturbation theory for non-degenerate states. Variation theorem and variational methods. Ground and excited state of helium atom. Coupling of angular momentum for many electron system, spin-orbit coupling, Molecular Term symbols. Born-Oppenheimer approximation, the hydrogen molecule ion, the hydrogen molecule, their symmetric and antisymmetric solution (without actual evaluation of various integrals). Self-consistent field method. |
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| 2 | Quantum Mechanics-II Valence bond and MO (LCAO) treatment of hydrogen molecule. Comparison of the MO and VB treatments and their equivalence limit. Configuration Interaction. Extension of MO theory to other systems- Homonuclear and heteronuclear diatomics, simple polyatomic molecules. The pi-electron approximation, Huckel theory of conjugated systems. Applications to ethylene, butadiene, cyclobutadiene and cyclopropenyl molecules. Calculation of properties- Delocalization energy, electron density, bond order. Ab initio and Semi-empirical Methods for Closed Shell Systems. |
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| 3 | Quantum Photochemistry Types of Photophysical Pathways, Radiative and Non-Radiative transitions, Einstein Treatment of Absorption and Emission Phenomena, Probability of Induced Emission and Its Application to Lasers, Time-dependent Schrödinger equation, Time-dependent perturbation theory for photochemical systems, Transition moment integral, Theoretical Absorption Intensity, Oscillator Strength, Rules governing the transition between two energy states. |
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| 4 | Micelles Surface active agents, classification of surface active agents, micellization, hydrophobic interaction, critical micellar concentration (CMC), factors affecting the CMC of surfactants, counter ion binding to micelles, thermodynamics of micellization-phase separation and mass action models, solubilization, emulsions, micro emulsion. General Properties of Liquids Liquids as dense gases, liquids as disordered solids, some thermodynamics relations, internal pressure and its significance in liquids, equation of state, critical constants, Different types of intermolecular forces in liquids. |
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