Reorganization energy induced by noncovalent bonding interaction in electron transfer reactions

Tomoaki Yago, Yasuhiro Kobori, Kimio Akiyama, Shozo Tero-Kubota

Research output: Contribution to journalLetterpeer-review

7 Citations (Scopus)

Abstract

A simple model is proposed to calculate a component of the electron-transfer reorganization energy derived from the reversible process of noncovalent bond formation/dissociation between the reactant and hydrogen bonding donor or ligand. In the model, the reorganization of the formation/dissociation of the noncovalent-bonded complex is estimated by considering the chemical equilibrium change during the electron-transfer reaction. The effects of the hydrogen bonding and the ligand binding on the reorganization energies are calculated for the one-electron reduction processes of quinones, flavin, and the hem-fragment of cytochrome c based on the formation/dissociation constants of the noncovalent-bonded complexes in the liquid phase.

Original languageEnglish
Pages (from-to)13255-13257
Number of pages3
JournalJournal of Physical Chemistry B
Volume107
Issue number48
Publication statusPublished - 2003 Dec 4

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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