Electron Transfer Reactions: Mechanisms and Methods (Semi-Classical and Semi-Group)

Northwestern University, Evanston IL

Investigators

Abstract

Mark Ratner of Northwestern University is supported by the Theoretical and Computational Chemistry Program to use analytic and numerical methods in addressing non-equilibrium effects on electron transfer dynamics. Applications include bath dynamics, geometric gating of mixing, the transition between coherent and incoherent regimes, anharmonic domination of rates, Poisson processes, rate constant turnovers, and control aspects of electron transfer. Traditional models and newly developed methodologies will be utilized, in close collaboration with experimental efforts. The ultimate aim of this research is a reliable approach for understanding and controlling dynamically dominated electron transfer in molecular and condensed phase systems. Electron transfer is one of the most important processes in chemistry, biochemistry, and materials science, affecting phenomena as diverse as corrosion, weathering, and photosynthesis.