A semiclassical model for orientation effects in electron transfer reactions

A Model for Orientation Effects in Electron‐Transfer Reactions

A method for solving the single-particle Schrooinger equation with an oblate spheroidal potential of finite depth is presented. The wave functions are then used to calculate the matrix element T. h"h ~ w 1c appears in theories of nonadiabatic electron transfer. The results illustrate the effects of mutual orientation and separation of the two centers on T BA. Trends in these results are discuss...

Biological electron-transfer reactions.

A wide range of biological processes makes extensive use of electron-transfer reactions. Rigorous characterization of a biological electron-transfer reaction requires a combination of kinetic, thermodynamic, structural and theoretical methods. The rate of electron transfer from an electron donor to an electron acceptor through a protein is dependent on the difference in reduction potential of t...

A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity.

While diabatic approaches are ubiquitous for the understanding of electron-transfer reactions and have been mooted as being of general relevance, alternate applications have not been able to unify the same wide range of observed spectroscopic and kinetic properties. The cause of this is identified as the fundamentally different orbital configurations involved: charge-transfer phenomena involve ...

Quantum effects in electron transfer reactions with strong electronic coupling

Dynamical effects in electron transfer reactions . II . Numerical solution

In part I a reaction-diffusion equation was introduced for the description of electron transfer reactions which are induced by fluctuations in both the solvent polarization and in the intramolecular vibrational coordinates. We analyze the model employing a generalized moment expansion for the time behavior of the survival probability Q(t), i.e., for the fraction of molecules that have not trans...