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Electronic Structure and Optical Response of Electroluminescent Conjugated Polymers

Published online by Cambridge University Press:  10 February 2011

J. L. Bredas,
J. Cornil,
D. Beljonne,
D. A. Dos Santos,
Z. Shuaiv and
R. Silbey
J. L. Bredas
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
J. Cornil
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, BelgiumDepartment of Chemistry, Massachusetts Institute of Technology, Cambridge MA 02139, USA.
D. Beljonne
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
D. A. Dos Santos
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
Z. Shuaiv
Affiliation:
Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium
R. Silbey
Affiliation:
Department of Chemistry, Massachusetts Institute of Technology, Cambridge MA 02139, USA.
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Abstract

In this contribution, we investigate by means of correlated quantum-chemical calculations the influence of intermolecular interactions on the absorption and emission properties of conjugated chains. Various strategies are suggested to avoid a substantial decrease in fluorescence quantum yield in condensed media. Finally, the reliability of our theoretical approach is validated by showing the remarkable agreement obtained between the experimental data and the calculated optical properties of clusters formed by sexithienyl molecules.

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