Dissemin is shutting down on January 1st, 2025

Published in

American Chemical Society, Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 23(109), p. 11829-11835, 2005

DOI: 10.1021/jp0503112

Links

Tools

Export citation

Search in Google Scholar

Effect of the Donor−Bridge Energy Gap on the Electron-Transfer Mechanism in Donor−Bridge−Acceptor Systems

Journal article published in 2005 by Eunji Sim ORCID
This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
  • Must obtain written permission from Editor
  • Must not violate ACS ethical Guidelines
Orange circle
Postprint: archiving restricted
  • Must obtain written permission from Editor
  • Must not violate ACS ethical Guidelines
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

The effect of the energy gap between donor and bridge states in the electron transfer of a double mutant photosynthetic purple bacterial reaction center is thoroughly investigated using a recently introduced modified on-the-fly filtered propagator important path integral formalism. By decomposition of the reduced density matrix of a system coupled to a dissipative environment, partial contributions of incoherent hopping, coherent superexchange, and partially coherent hopping transport to the overall electron or charge transfer are evaluated. Within the tight-binding donor-bridge-acceptor model, the three mechanisms coexist for a wide range of donor-bridge energy gap values, and the governing mechanism changes from incoherent hopping to partially coherent hopping and eventually to coherent superexchange as the donor-bridge energy gap becomes large.