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Phys Rev Lett. 2002 Dec 30;89(27):275503. Epub 2002 Dec 20.

Hole- and electron-vibrational couplings in oligoacene crystals: intramolecular contributions.

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

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.

PMID:
12513217
DOI:
10.1103/PhysRevLett.89.275503
[PubMed]
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