1981•Journal of the Chemical Society Faraday Transactions 1 Physical Chemistry in Condensed PhasesRequires access

Dependence of the hydrogen kinetic isotope effect on the reaction free energy

Ernst D. German, Alexander M. Kuznetsov

Abstract

The kinetic isotope effect for proton transfer reactions between ethyl nitroacetate and a series of O-bases has been calculated for the linear complex model. The influence of both the adiabaticity of proton transitions from some vibrational energy levels and of the anharmonicity of proton vibrations on the dependence of the kinetic isotope effect on reaction free energy has been investigated.

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Key concepts: Kinetic isotope effect, Kinetic energy, Chemistry, Anharmonicity, Proton, Vibrational energy, Isotope, Hydrogen