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Cited by 468

The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.

The Vibrational Reorganization Energy in Pentacene: Molecular Influences on Charge Transport

Gruhn, Nadine E., da Silva Filho, Demetrio A., Bill, Tonja G., Malagoli, Massimo, Coropceanu, Veaceslav, Kahn, Antoine, Brédas, Jean-Luc·2002·Journal of the American Chemical Society

Abstract

The reorganization energy in pentacene is reported on the basis of a joint experimental and theoretical study of pentacene ionization using high-resolution gas-phase photoelectron spectroscopy, semiempirical intermediate neglect of differential overlap calculations, and first-principles correlated quantum-mechanical calculations at MP2 and density functional theory levels. The reorganization energy upon positive ionization of pentacene is determined both experimentally and theoretically to be remarkably low. This is one key element that allows one to rationalize the extremely high hole mobilities recently measured in pentacene single crystals.

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Crossref · 10.1021/ja0175892

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Metadata

Authors
Gruhn, N. E., da Silva Filho, D. A., Bill, T. G., Malagoli, M., Coropceanu, V., Kahn, A., & Brédas, J.-L.
Venue
Journal of the American Chemical Society
Published
2002-06-13
Volume
124
Issue
27
Pages
7918-7919
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
OpenAlex
W2079000803
Cited by
468
References
1
FWCI
15.77
Type
journal article
Language
en
Open access
closed

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

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