Cluster Models for Condensed-Phase Electron Transfer Processes

  • M. D. Newton
Part of the NATO ASI Series book series (NSSB, volume 283)

Abstract

Electron transfer (ET) processes pose intriguing challenges to electronic structure theories for donor/acceptor (D/A) interactions [1]. Recent theoretical advances are providing a unified understanding of D/A coupling in a number of closely related processes of the 1-electron (e.g., photoelectron and electron transmission spectroscopy, and charge transfer spectroscopy, as well as thermal and photoinitiated ET) and 2-electron (e.g., magnetic exchange and triplet energy transfer) type [1]. In the modelling of such processes in condensed phases, discrete molecular clusters containing local D and A sites as well as any intervening material have played a crucial role. In the case of intermolecular ET, the cluster is a super-molecule complex corresponding to the transition state for the process [2–4]. In the present paper we focus on recent progress in the mechanistic analysis of ET reactions based on discrete cluster models and illustrate the approach with the results of several computational studies.

Keywords

Attenuation Photosynthesis Ferrocene Ferrocenium Cyclopentadienide 

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Copyright information

© Plenum Press, New York 1992

Authors and Affiliations

  • M. D. Newton
    • 1
  1. 1.Department of ChemistryBrookhaven National LaboratoryUptonUSA

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