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Theoretical Design of Polymeric Materials for Nonlinear Optics

Published online by Cambridge University Press:  25 February 2011

M. Dory ,
V. P. Bodart ,
J. Delhalle ,
J. M. André  and
J. L. Brédas[a]
M. Dory
Affiliation:
Laboratoire de Chimie Théorique Appliquée, Centre de Recherche sur les Materiaux Avancés, Facultés Universitaires Notre-Dame de la Paix, B-5000 Namur, Belgium
V. P. Bodart
Affiliation:
Laboratoire de Chimie Théorique Appliquée, Centre de Recherche sur les Materiaux Avancés, Facultés Universitaires Notre-Dame de la Paix, B-5000 Namur, Belgium
J. Delhalle
Affiliation:
Laboratoire de Chimie Théorique Appliquée, Centre de Recherche sur les Materiaux Avancés, Facultés Universitaires Notre-Dame de la Paix, B-5000 Namur, Belgium
J. M. André
Affiliation:
Laboratoire de Chimie Théorique Appliquée, Centre de Recherche sur les Materiaux Avancés, Facultés Universitaires Notre-Dame de la Paix, B-5000 Namur, Belgium
J. L. Brédas[a]
Affiliation:
Laboratoire de Chimie Théorique Appliquée, Centre de Recherche sur les Materiaux Avancés, Facultés Universitaires Notre-Dame de la Paix, B-5000 Namur, Belgium
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Abstract

We present results of ab initio calculations on the electric response of oligomers representative of conjugated polymers of interest. We mainly focus on : (i) polyacetylenes, polyynes, polydiacetylenes, and polycumulenes; (ii) polyaromatic systems in both undoped and doped states; and (iii) polyaromatic vinylene compounds. Our aim is to find trends among related series of conjugated polymers in order to assess their potentialities for nonlinear optics applications and to help in designing materials with optimal characteristics.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 109: Symposium K – Nonlinear Optical Properties of Polymers , 1987 , 239
Copyright
Copyright © Materials Research Society 1988

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References

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