Physical Chemistry II
CHE 3520.10
Credits: 4
Spring, 2001
Instructor: Dr. Taina H. Chao Room 3033, Natural Sciences
Office Hours: Monday 2:00-4:00, Tuesday 2:00 - 4:00 and by appointment.
Text: Robert A. Alberty and Robert J. Silbey @Physical Chemistry@, 3rd ed., John Wiley & Sons, Inc.
Software: CAChe (for modeling and computational applications) and Mathematica are available for student use in the NS Computer Lab.
Grade Evaluation:
Exams - 70%
Problem sets - 30%
Exams - 70%
Problem sets - 30%
Syllabus
1. Quantum Theory
Postulates and Some Simple Applications
The uncertainty principle
Particle-in-a-box problem
Particle-on-a-sphere problem
Angular momentum
The quantum mechanical harmonic oscillator
The tunnelling effect
2. The Electronic Structure of One Electron Atoms and lons
The Schrodinger equation for hydrogen-like atoms
The geometric details and physical significance of hydrogen-like orbitals
Energy levels and spectrum of the hydrogen atom
Selection rules
Angular momentum, magnetic moment and electron spin
EXAM I
3. The Electronic Structure of Many-Electron Atoms
The helium atom
The variational method
The lithium atom and the Pauli exclusion principle
Screening and the orbital energies of many-electron atoms
The self-consistent-field orbitals
The aufbau principle and the periodic table
Spin-orbit interaction. Term symbols.
Atomic spectra and selection rules. Zeeman effect.
4. Molecular Electronic Structure
The hydrogen molecule ion
The Born-Oppenheimer approximation
Valence bond theory
Molecular orbital theory
The state symbols, excited states and electronic
spectra of diatomic molecules
Hybrid orbitals and directed valence
lonic Bonding
5. Symmetry
Symmetry operations and symmetry elements
Identification of point groups of molecules
Character tables and their uses
Exam II
6. Rotational and Vibrational Spectroscopy
Rotational spectroscopy
Vibrational spectroscopy
Vibration-rotation spectroscopy
7. Electronic Spectroscopy of Molecules
Electronic spectra - Energy levels and selection rules
The Franck-Condon principle
Electronic spectra of polyatomic molecules
Fluorescence and phosphorescence
Principles of laser
Photoelectron spectroscopy
8. Magnetic Resonance Spectroscopy
Nuclear magnetic resonance
Spin-spin coupling
Relaxation processes
Advanced NMR techniques
Electron spin resonance
EXAM III
9 Statistical Mechanics
Introduction
Molecular energy levels and the Boltzmann distribution
Partition functions
10. Statistical Mechanical Treatment of Thermodynamics Quantities
How to calculate the thermodynamic functions
How to calculate equilibrium constants of reactions of ideal gases
11. Kinetic Theory of Gases
Maxwell distribution of speeds
Pressure of an ideal gas
Collision frequencies
Transport Phenomena
12. Chemical Dynamics and Photochemistry
Simple collision theory
Potential Energy Surfaces
Theoretical Calculation of a Rate Constant
Transition State Theory
Principles of Photochemistry
EXAM IV