Calculation of the energy of activation in the electron transfer reaction not involving the bond rupture at the electrode

A new model of the free energy of activation in electron transfer reaction at the electrode is presented in this paper. The solvation process of an io n is considered and three accurate potential functions (Morse function, har monic oscillator potential and modified harmonic oscillator potential funct ion) are defined in terms of the experimental spectroscopic and solvation t hermodynamic data. The activation energy is obtained in terms of the propos ed model of the free energy of activation and the three potential functions , The theoretical values of the activation free energy agree well with the experimental results, these agreements take into account the validity of th e new model. (C) 2000 Elsevier Science B.V. All rights reserved.