NONADIABATIC REDOX REACTIONS IN SOLUTION - A MODEL OF 2 CLASSICAL MORSE POTENTIALS AND ITS COMPARISON WITH HARMONIC APPROXIMATION

Authors
GERMAN ED KUZNETSOV AM
Citation
Ed. German et Am. Kuznetsov, NONADIABATIC REDOX REACTIONS IN SOLUTION - A MODEL OF 2 CLASSICAL MORSE POTENTIALS AND ITS COMPARISON WITH HARMONIC APPROXIMATION, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(21), 1998, pp. 3668-3673
Citations number
23
Categorie Soggetti
Chemistry Physical
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
102
Issue
21
Year of publication
1998
Pages
3668 - 3673
Database
ISI
SICI code
1089-5639(1998)102:21<3668:NRRIS->2.0.ZU;2-3
Abstract
Equations for the activation free energy Delta F-# and preexponential factor of the rate constant of the redox reaction X-2 + e--> X-2(-) in solution characterized by a considerable elongation of the chemical b ond X-X are obtained. Intramolecular potential energies describing the stretching vibrations along the X-X bond in the molecule and its anio n are approximated by Morse functions. The dependencies of Delta F-# a nd other characteristics of the transition configuration on the free e nergy of the reaction are compared with those obtained in harmonic app roximation.