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

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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.

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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).

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Authors and Affiliations

  1. Department of Chemistry, The University of Arizona, Tucson, AZ, 85721-0041, USA

    V. Coropceanu, J.M. André, M. Malagoli & J.L. Brédas

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  1. V. Coropceanu
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  2. J.M. André
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  3. M. Malagoli
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  4. J.L. Brédas
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Correspondence to J.L. Brédas.

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Coropceanu, V., André, J., Malagoli, M. et al. The role of vibronic interactions on intramolecular and intermolecular electron transfer in π-conjugated oligomers. Theor Chem Acc 110, 59–69 (2003). https://doi.org/10.1007/s00214-003-0445-3

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  • DOI: https://doi.org/10.1007/s00214-003-0445-3

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