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Quantum Mechanics
Paper Code:
CHY - 513
Credits:
3
Contact Hours:
45.00
Max. Marks:
100.00
6.00
Unit I:
Atomic Structure
Black-body radiation, Planck’s radiation law, photoelectric effect, heat capacity of solids;
Bohr’s model of hydrogen atom (no derivation) and its defects, Compton effect, de Broglie
hypothesis, Heisenberg’s uncertainty principle.
12.00
Unit II:
Quantum Chemistry I
Postulates of quantum mechanics, quantum mechanical operators, Schrodinger equation and its application to free particle and particle-in-a-box (rigorous treatment), quantization of energy levels, zero-point energy and Heisenberg Uncertainty principle; wavefunctions, probability distribution functions, nodal properties, Extension to two and three dimensional boxes, separation of variables, degeneracy. Qualitative treatment of simple harmonic oscillator model of vibrational motion: Setting up of Schrodinger equation and discussion of solution and wavefunctions.
11.00
Unit III:
Quantum Chemistry II
Rigid rotator model of rotation of diatomic molecule. Schrodinger equation, transformation to
spherical polar coordinates. Separation of variables. Qualitative treatment of hydrogen atom and hydrogen-like ions: setting up of Schrodinger equation in spherical polar coordinates, radial part, quantization of energy (only final energy expression), radial distribution functions of 1s, 2s, 2p, 3s, 3p and 3d orbitals and polar plots of their shapes.
10.00
Unit IV:
Chemical Bonding
Covalent bonding, valence bond and molecular orbital approaches, LCAO- MO treatment of H2+. Bonding and antibonding orbitals. Qualitative extension to H2. Comparison of LCAO-MO and VB treatments of H2 (only wavefunctions, detailed solution not required) and their limitations. Qualitative description of LCAO-MO treatment of homonuclear and heteronuclear diatomic molecules (HF, LiH).. Qualitative MO theory and its application to AH2 type molecules. Simple Huckel Molecular Orbital (HMO) theory and its application to simple polyenes (ethene, butadiene).
6.00
Unit V:
Physical Properties and Molecular Structure
Optical activity, polarization – Clausius-Mossotti equation, orientation of dipoles in an
electric field, dipole moment, induced dipole moment, measurement of dipole moment temperature method and refractivity method, dipole moment and structure of molecules.
References:
- Quantum Chemistry; Second Edition; R.K. Prasad; New Age International (P) Ltd, New Delhi, 2003.
- Molecular Quantum Mechanics, Third Edition; P.W. Atkins, and R.S. Friedman; Oxford University Press Club, New York, 2004.
- Introductory Quantum Chemistry ;Chandra A. K.; Tata McGraw-Hill (2001).
- Atoms, Molecules and Spectrum; S.K.Dogra and H.S.Randhawa; New Age International (P) Ltd, New Delhi, 2001
- Quantum Chemistry; Fourth Edition; Ira N. Levine; Prentice-Hall of India Pvt. Ltd, New Delhi, 2002.
- Physical Chemistry, A Molecular Approach, First Edition; D.A. Mc Qurrie and J.D Simon; Viva Low Priced Student Edition, New Delhi, 1998.
