Hole- and Electron-Vibrational Couplings in Oligoacene Crystals: Intramolecular Contributions

V. Coropceanu; M. Malagoli; D. A. da Silva Filho; N. E. Gruhn; T. G. Bill; Jean-Luc Bredas

doi:10.1103/PhysRevLett.89.275503

Hole- and Electron-Vibrational Couplings in Oligoacene Crystals: Intramolecular Contributions

V. Coropceanu, M. Malagoli, D. A. da Silva Filho, N. E. Gruhn, T. G. Bill, Jean-Luc Bredas

Physical Sciences and Engineering

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371 Scopus citations

Abstract

The hole-vibrational coupling is reported for anthracene, tetracene, and pentacene on the basis of a joint experimental and theoretical study of ionization spectra using high-resolution gas-phase photoelectron spectroscopy and first-principles correlated quantum-mechanical calculations. The hole-vibrational coupling is found to be significantly smaller than the electron-vibrational coupling in the case of these oligomers; however, both quantities are predicted to converge to the same value when increasing the chain length.

Original language	English (US)
Journal	Physical Review Letters
Volume	89
Issue number	27
DOIs	https://doi.org/10.1103/PhysRevLett.89.275503
State	Published - Jan 1 2002

ASJC Scopus subject areas

Physics and Astronomy(all)

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10.1103/PhysRevLett.89.275503

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abstract = "The hole-vibrational coupling is reported for anthracene, tetracene, and pentacene on the basis of a joint experimental and theoretical study of ionization spectra using high-resolution gas-phase photoelectron spectroscopy and first-principles correlated quantum-mechanical calculations. The hole-vibrational coupling is found to be significantly smaller than the electron-vibrational coupling in the case of these oligomers; however, both quantities are predicted to converge to the same value when increasing the chain length.",

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AU - Bredas, Jean-Luc

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AB - The hole-vibrational coupling is reported for anthracene, tetracene, and pentacene on the basis of a joint experimental and theoretical study of ionization spectra using high-resolution gas-phase photoelectron spectroscopy and first-principles correlated quantum-mechanical calculations. The hole-vibrational coupling is found to be significantly smaller than the electron-vibrational coupling in the case of these oligomers; however, both quantities are predicted to converge to the same value when increasing the chain length.

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Hole- and Electron-Vibrational Couplings in Oligoacene Crystals: Intramolecular Contributions

Abstract

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