Effects of non-Debye solvent relaxation in electron transfer reactions: A numerical study
โ Scribed by Teresa Fonseca
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 532 KB
- Volume
- 162
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
To assess the importance of the different time scales of non-Debye solvent relaxation on the reaction kinetics of electron transfer reactions we have performed a numerical simulation study for a model system of an activated solvent-controlled electron transfer reaction in the weakly adiabatic regime. For this regime we have shown that the relevant solvent time scale for the reaction can be identified with the time scale in which the solvent initially reacts to a perturbation.
๐ SIMILAR VOLUMES
We conducted Monte Carlo simulations of polar solutions by explicitly treating the effect of electronic polarizability of solvent molecules. Based on these data, we calculated the energy-gap dependence of electron-transfer rates. It was found that a considerable asymmetry of the energy-gap dependenc
## Abstrae~lvent effects studied in simple heterogeneous redox reactions, and for amalgam formation reactions have been reviewed. It is emphasized that on the basis of a regression analysis of the data, solvent effects relating to the pm-exponential factor of the electron transfer rate wnstant can