## Equations and interpretations in the Khan-Bock& Comment are the same as in the author's paper cxcpt for the valid objection to the computation of literature values of force constants. The argument that inner-sphere reorganization energies are dominant is rather pointless since the opposite view
Contribution of inner-sphere reorganization in electron-transfer reaction in solution
β Scribed by Shahed U.M. Khan; John O'M. Bockris
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 343 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
A recently published paper in which the inner-and outer-sphere contributions in redos reactions are compared is incorrect-If one uses the experimental values for the force constants, rather than those calculated from the Urey-Bradley method, one tindsRhmer= 1.6 Rout, where R represents the reorganization ener=T.
π SIMILAR VOLUMES
An accurate theoretical scheme for obtaining directly the inner-sphere reorganization energies of the hetero-exchange electron transfer reactions from ionization potentials and electron affinities is first reported in this paper. Ionization potentials and electron affinities are alternatively obtain
The reorganization energy of electron-transfer reactions as a function of the distance between donor and acceptor molecules is calculated by Monte Carlo simulation. It is found that the reorganization energy of charge-separation reactions is appreciably different from that of charge-recombination re
Two new models, and application of the ab initio MO method, for computing the inner-sphere reorganization energy (RE) of the hydrated ions participating in electron transfer reactions in solution and at electrodes are presented. The inner-sphere RE was calculated for the low-lying state ( ST0/6A,,)