Theoretical characterization and design of end-substituted distyrylbenzenes as excitation shuttles in one-dimensional channels

Juan Carlos Sancho-García*, Lars Poulsen, Johannes Gierschner, Roberto Martínez-Alvárez, Emmanuelle Hennebicq, Michael Hanack, Hans Joachim Egelhaaf, Dieter Oelkrug, David Beljonne, Jean-Luc Bredas, Jérôme Cornil

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

The potential, at a full quantum-chemical level, of a number of recently synthesized end-substitued oiligophenylenevinylene (OPV)-based excitation shuttles, was investigated. It was found that the new chemical structures leading to enhanced energy-transfer rates can be designed at the theoretical level, prior to chemical synthesis. The OPV compounds were found to be characterized by high luminescence quantum yields and by a large transition dipole moment between the ground state and excited state. The results show that quantum chemistry is a valuable tool which can be used to design, prior to chemical synthesis promising excitation shuttles for transport in confined one-dimensional channels.

Original languageEnglish (US)
Pages (from-to)1193-1197
Number of pages5
JournalAdvanced Materials
Volume16
Issue number14
DOIs
StatePublished - Jul 19 2004

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

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