The role of vibronic interactions on intramolecular and intermolecular electron transfer in π-conjugated oligomers

V. Coropceanu, J. M. André, M. Malagoli, Jean-Luc Bredas*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

72 Scopus citations

Abstract

The importance of electron-vibrational coupling for intermolecular and intramolecular electron-transfer processes is discussed on the basis of first-principles correlated quantum-mechanical calculations and of a dynamic vibronic approach. The methodology is illustrated for examples selected from some of our recent work. In all instances, the theoretical results are thoroughly compared to experimental data.

Original languageEnglish (US)
Pages (from-to)59-69
Number of pages11
JournalTheoretical Chemistry Accounts
Volume110
Issue number2
DOIs
StatePublished - Sep 1 2003

Keywords

  • Charge transfer
  • Electron transfer
  • Mixed-valence compounds
  • Vibronic interactions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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