Vibronic coupling in organic semiconductors: The case of fused polycyclic benzene-thiophene structures

Veaceslav Coropceanu*, Ohyun Kwon, Brigitte Wex, Bilal R. Kaafarani, Nadine E. Gruhn, Jason C. Durivage, Douglas C. Neckers, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

68 Scopus citations

Abstract

The nature of vibronic coupling in fused polycyclic benzene-thiophene structures has been studied using an approach that combines high-resolution gas-phase photoelectron spectroscopy measurements with first-principles quantum-mechanical calculations. The results indicate that in general the electron-vibrational coupling is stronger than the hole-vibrational coupling. In acenedithiophenes, the main contributions to the hole-vibrational coupling arise from medium- and high-frequency vibrations. In thienobisben-zothiophenes, however, the interaction of holes with low-frequency vibrations becomes significant and is larger than the corresponding electron-vibrational interaction. This finding is in striking contrast with the characteristic pattern in oligoacenes and acenedithiophenes in which the low-frequency vibrations contribute substantially only to the electron-vibrational coupling. The impact of isomerism has been studied as well.

Original languageEnglish (US)
Pages (from-to)2073-2080
Number of pages8
JournalChemistry - A European Journal
Volume12
Issue number7
DOIs
StatePublished - Feb 20 2006

Keywords

  • Electron transport electronic structure
  • Heterocycles
  • Photoelectron spectroscopy

ASJC Scopus subject areas

  • Chemistry(all)

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