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

V. Coropceanu; J. M. André; M. Malagoli; J. L. Brédas

doi:10.1007/s00214-003-0445-3

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

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

Chemistry and Biochemistry

Research output: Contribution to journal › Review article › peer-review

75 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 language	English (US)
Pages (from-to)	59-69
Number of pages	11
Journal	Theoretical Chemistry Accounts
Volume	110
Issue number	2
DOIs	https://doi.org/10.1007/s00214-003-0445-3
State	Published - 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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10.1007/s00214-003-0445-3

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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.",

keywords = "Charge transfer, Electron transfer, Mixed-valence compounds, Vibronic interactions",

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AU - André, J. M.

AU - Malagoli, M.

AU - Brédas, J. L.

PY - 2003/9/1

Y1 - 2003/9/1

N2 - 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.

AB - 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.

KW - Charge transfer

KW - Electron transfer

KW - Mixed-valence compounds

KW - Vibronic interactions

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U2 - 10.1007/s00214-003-0445-3

DO - 10.1007/s00214-003-0445-3

M3 - Review article

AN - SCOPUS:0141922659

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JO - Theoretical Chemistry Accounts

JF - Theoretical Chemistry Accounts

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ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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