Chemistry 143B, Spring 2008
Syllabus: Chemistry 143B – Kinetics, Dynamics & Transport
Lecturer: Professor C. Steel
Part 1: Introduction to Rate Laws and Mechanism in Chemical Reactions
Rates and Orders, Arrhenius, Steady State, Enzyme Catalysis, Oscillating reactions
Part 2: Experimental Techniques for Measuring the Progress of a Chemical Reaction
Part3: An Introduction to using Spartan for Quantum Mechanical Calculations.
Building molecules, determination of physical properties, examining the energetics of reactions
Part 4: Important Formulae from Statistical Thermodynamics:
Partition functions for electronic. translational, rotational and vibrational states
Formulae for internal energy, enthalpy, entropy, Helmholtz free energy and Gibbs free energy in terms of partition functions
Chemical equilibrium in terms of partition functions
Part 5: Absolute Reaction Rate Theory
Model for a unimolecular reaction. Evaluation of kuni, A and Ea and their relationship to thermodynamic parameters.
Model for a bimolecular reaction.. Evaluation of kbim, A and Ea and their relationship to thermodynamic parameters.
The Dynamics of ReactionsThe Woodward-Hoffmann Rules
Reaction surfaces. Orbital and state correlation diagrams for various symmetry allowed and symmetry forbidden reactions (Woodward Hoffman Rules). Configuration Interaction. The energetics and MO patterns for these reactions using Spartan ’04 for Windows
General Texts:
Physical Chemistry, 8th edition / P. W. Atkins or equivalent
Physical Chemistry, 3rd edition / R. A. Alberty & R . J. Silbey or equivalent
Chemical Kinetics and Reaction Dynamics / Paul L. Houston or equivalent.
Organic Chemistry, / Paula Y. Bruice or equivalent
Specialized Texts (on reserve in Library):
Theory of Unimolecular and Recombination Reactions / Robert G. Gilbert & Sean C. Smith.
Thermochemical Kinetics : Methods for the Estimation of Thermochemical Data and Rate parameters / Sydney W. Benson
Kinetic Data on Gas Phase Unimolecular Reactions / Benson & O'Neal.
Tables of Bimolecular Gas Reactions / Trotman-Dickenson & Milne.
Coulson’s Valence (3rd Edition) / Roy McWeeny
Grading Policy:
There will be 12 homework assignments, a midterm and a final. All are given on a take-home basis. If you have any question about a problem before starting to work, you are strongly encouraged to discuss the matter with the professor or fellow students. That is, students are encouraged to discuss and to help each other understand the questions and the methodology required. However, once you "put pen to paper" all work must be your own. That is, you cannot use the results of fellow students' work in any shape or form.
Homework is very important and accounts for 60% of your final grade. The midterm and the final account for the remaining 40%.
syllabus.docc 1/24/2008 2