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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
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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%.
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