Communication

Theoretical Characterization and Design of End-Substituted Distyrylbenzenes as Excitation Shuttles in One-Dimensional Channels†

  1. J. C. Sancho-García1,
  2. L. Poulsen3,
  3. J. Gierschner3,
  4. R. Martínez-Alvárez4,
  5. E. Hennebicq1,
  6. M. Hanack4,
  7. H.-J. Egelhaaf3,
  8. D. Oelkrug3,
  9. D. Beljonne1,2,
  10. J.-L. Brédas1,
  11. J. Cornil1,2

Article first published online: 2 AUG 2004

DOI: 10.1002/adma.200400354

Issue

Advanced Materials

Advanced Materials

Volume 16, Issue 14, pages 1193–1197, July, 2004

Additional Information

How to Cite

Sancho-García, J. C., Poulsen, L., Gierschner, J., Martínez-Alvárez, R., Hennebicq, E., Hanack, M., Egelhaaf, H.-J., Oelkrug, D., Beljonne, D., Brédas, J.-L. and Cornil, J. (2004), Theoretical Characterization and Design of End-Substituted Distyrylbenzenes as Excitation Shuttles in One-Dimensional Channels. Adv. Mater., 16: 1193–1197. doi: 10.1002/adma.200400354

Author Information

  1. 1

    Laboratory for Chemistry of Novel Materials, Center for Research in Molecular Electronics and Photonics, University of Mons-Hainaut , Place du Parc 20, B-7000 Mons, Belgium

  2. 2

    School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400, USA

  3. 3

    Institute of Physical and Theoretical Chemistry, University of Tübingen , Auf der Morgenstelle 8, D-72076 Tübingen, Germany

  4. 4

    Institute of Organic Chemistry, University of Tübingen, Auf der Morgenstelle 18, D-72076 Tübingen, Germany

  1. †

    The work in Mons has been partly supported by the Belgian Federal Government “Service des Affaires Scientifiques, Techniques et Culturelles (SSTC)” in the framework of the “Pôle d'Attraction Interuniversitaire en Chimie Supramoléculaire et Catalyse Supramoléculaire (PAI 5/3)”, the Belgian National Fund for Scientific Research (FNRS/FRFC) and by the European commission project NANOCHANNEL (#HPRN-CT-2002-00323). The work in Tübingen is supported by the “Fonds der Chemischen Industrie”, and by the European commission project NANOCHANNEL. The work at Georgia Tech is partly supported by the National Science Foundation (CHEM-0342321), the Office of Naval Research, and the IBM Shared University Research Program. R.M.A. thanks the Alexander von Humboldt Stiftung (Germany) for the reinvitation program (2002 and 2003) as well as the “Beca Internacional Universidad Complutense—Flores Valles” (Spain). E. H., D. B., and J. C. are Research Fellows of the FNRS. The authors are very grateful to Prof. J. R. Reimers (University of Sydney, Australia) for making available a version of his recently developed DUSHIN program.

Publication History

  1. Issue published online: 2 AUG 2004
  2. Article first published online: 2 AUG 2004
  3. Manuscript Accepted: 1 JUN 2004
  4. Manuscript Received: 9 MAR 2004

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Keywords:

  • Energy transfer;
  • Oligophenylenevinylenes;
  • Quantum chemical calculations
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Quantum-chemical calculations have been performed to characterize the potentiality of recently synthesized end-substituted oligophenylenevinylenes (OPVs) as excitation shuttles and to design more efficient derivatives. The approach provides quantitative estimates of the parameters controlling the exciton transfer rates and strategies to promote directional energy transfer.

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