Abstract

In the conventional Transition State Theory of the rate of heavy particle charge transfer reactions in polar solvents, it is assumed that the solvent is always in equilibrium at each stage of the reaction coordinate for the reacting system. We discuss the breakdown of this assumption for a model SN2 reaction in water via analytic theory and Molecular Dynamics computer simulation. We also discuss a theory for the role of the solvent in intramolecular proton transfers.

Keywords

Proton Transfer Kinetic Isotope Effect Charge Transfer Reaction Intramolecular Proton Transfer Transition State Theory 
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Copyright information

© Kluwer Academic Publishers 1989

Authors and Affiliations

  • James T. Hynes
    • 1
  1. 1.Department of Chemistry and BiochemistryUniversity of ColoradoBoulderUSA

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