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Proceedings Paper

Cyano-substituted polyparaphenylene vinylene: description of the nature of the lowest singlet and triplet excited states
Author(s): J. P. Cornil; Donizetti A. Dos Santos; David Beljonne; Jean-Luc Bredas
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Paper Abstract

The lowest singlet and triplet excited states in cyano- substituted phenylene vinylene oligomers are characterized by means of configuration interaction calculations. First, the vertical singlet-singlet, S0 yields S1, singlet- triplet, S0 yields T1, and triplet-triplet T1 yields Tn, excitation energies are evaluated in oligomers ranging in size from two to five phenylene rings; the spatial extent of the S1, T1, and Tn excited states is estimated on the basis of a simple analysis of their wavefunctions. We then pay attention to the lattice distortions taking place in the lowest singlet and triplet excited states of these model oligomers. In each case, the results are compared to those obtained for the corresponding unsubstituted oligo(phenylene vinylene)s. Besides the bathochromic shift associated with the electroactive character of the substituents, an overall localization of the excited state wavefunction is found when going from unsubstituted to cyano-substituted oligomers.

Paper Details

Date Published: 1 December 1997
PDF: 10 pages
Proc. SPIE 3148, Organic Light-Emitting Materials and Devices, (1 December 1997); doi: 10.1117/12.279348
Show Author Affiliations
J. P. Cornil, Univ. de Mons-Hainaut (Belgium)
Donizetti A. Dos Santos, Univ. de Mons-Hainaut (Belgium)
David Beljonne, Univ. de Mons-Hainaut (Belgium)
Jean-Luc Bredas, Univ. de Mons-Hainaut (Belgium)

Published in SPIE Proceedings Vol. 3148:
Organic Light-Emitting Materials and Devices
Zakya H. Kafafi, Editor(s)

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