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Vibronic coupling in the ground and excited states of oligoacene cations.

Authors
  • Sanchez-Carrera, Roel S
  • Coropceanu, Veaceslav
  • da Silva Filho, Demetrio A
  • Friedlein, Rainer
  • Osikowicz, Wojciech
  • Murdey, Richard
  • Suess, Christian
  • Salaneck, William R
  • Brédas, Jean-Luc
Type
Published Article
Journal
The Journal of Physical Chemistry B
Publisher
American Chemical Society
Publication Date
Sep 28, 2006
Volume
110
Issue
38
Pages
18904–18911
Identifiers
PMID: 16986882
Source
Medline
License
Unknown

Abstract

The vibrational coupling in the ground and excited states of positively charged naphthalene, anthracene, tetracene, and pentacene molecules is studied 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. Our theoretical and experimental results reveal that, while the main contribution to relaxation energy in the ground state of oligoacene systems comes from high-energy vibrations, the excited-state relaxation energies show a significant redistribution toward lower-frequency vibrations. A direct correlation is found between the nature of the vibronic interaction and the pattern of the electronic state structure.

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