Hole- and electron-vibrational couplings in oligoacene crystals: intramolecular contributions |
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Authors: | Coropceanu V Malagoli M da Silva Filho D A Gruhn N E Bill T G Brédas J L |
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Institution: | Department of Chemistry, The University of Arizona, Tucson, AZ 85721-0041, USA. |
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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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