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Theoretical Chemistry Accounts

, Volume 110, Issue 2, pp 59–69 | Cite as

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

  • V. Coropceanu
  • J.M. André
  • M. Malagoli
  • J.L. BrédasEmail author
Article

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.

Keywords

Electron transfer Charge transfer Mixed-valence compounds  Vibronic interactions 

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Notes

Acknowledgments.

The work at Arizona has been partly supported by the National Science Foundation (through the STC for Materials and Devices for Information Technology—DMR-0120967—and through CHE-0078819), the Office of Naval Research, and the IBM Shared University Research program. J.M.A. and J.L.B. acknowledge support from the Belgian Federal Government Office for Scientific, Technical and Cultural Affairs: Interuniversity Attraction Pole Program on ``Supramolecular chemistry and supramolecular catalysis'' (IUAP 5-03).

Copyright information

© Springer-Verlag Berlin Heidelberg 2003

Authors and Affiliations

  • V. Coropceanu
    • 1
  • J.M. André
    • 1
  • M. Malagoli
    • 1
  • J.L. Brédas
    • 1
    Email author
  1. 1.Department of ChemistryThe University of ArizonaTucsonUSA

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