CREDITS: 4 (T 4)
OBJECTIVE OF THE SUBJECT: To introduce concepts of quantum mechanics and discuss aspects related to the electronic structure of atoms and molecules.
SUMMARY:
1. Speed Laws
2. Reaction Mechanisms and Integration of Kinetic Models
3. Transition State Theory
4. Theory of Unimolecular Reactions
5. Reactions in Solution
6. Catalysis
ANALYTICAL PROGRAM:
1. Postulates of Quantum Mechanics and Exact Solution Problems
1.1. Fundamentals of Quantum Mechanics
1.2. Postulates of Quantum Mechanics
1.3. Particle in the Box
1.4. Particle in the Ring
1.5. Particle on the Sphere and the Rigid Rotor
1.6. Harmonic Oscillator Model
1.7. Hydrogen Atom and Study of the Wave Functions of Hydrogenoid Systems
2. Approximate Methods for Solving the Schrödinger Equation
2.1. Variational Method
2.2. Perturbation Theory
3. Multielectron Atoms
2.1. Spin
2.2. Pauli principle
2.3. Construction of the Wave Function for Multielectron Atoms
2.4. Spectroscopic Terms
2.5. Hartree-Fock method
4. Chemical Bond Models
3.1. Diatomic Molecules – Molecular Orbital Theory (MO)
3.2. VB Model and Comparison with MO Model
BIBLIOGRAPHY:
Levine, I. N.; “Quantum Chemistry” 7th Ed, Pearson; 2014
Levine, I. N.; “Physical chemistry” 6th Ed, LTC; 2012
Ball, D.W.; “Physical chemistry” 1st Ed, Thomson; 2005
COMPLEMENTARY BIBLIOGRAPHY:
Atkins, P. W. and Friedman, R. S.; “Molecular Quantum Mechanics” 5th Ed, Oxford Univ. Press; 2010
Eisberg, R. and Resnick, R.; “Quantum Physics” 1st Ed, Campus; 1979
