Spatial extent of the singlet and triplet excitons in cyano-substituted oligo(phenylene vinylene)s

D. A. Dos Santos*, D. Beljonne, J. Cornil, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The singlet and triplet excited states in cyano-substituted phenylene vinylene oligomers are characterized by means of configuration interaction calculations. We first evaluate the vertical singlet-singlet, S0-S1, singlet-triplet, S0-T1, and triplet-triplet T1-Tn, excitation energies in oligomers ranging in size from two to five phenylene rings. We then describe the lattice distortions taking place in the lowest excited states. Finally, we estimate the spatial extent of the S1, T1, and Tn excitons on the basis of a simple analysis of their wavefunctions. In each case, the results are compared to those obtained for the corresponding unsubstituted oligo(phenylene vinylene)s.

Original languageEnglish (US)
Pages (from-to)1025-1026
Number of pages2
JournalSynthetic Metals
Volume85
Issue number1-3
StatePublished - Mar 15 1997

Keywords

  • Poly(phenylene vinylene) and derivatives
  • Semi-empirical models and model calculations

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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