Theoretical investigation of the lowest singlet and triplet excited states in oligo(phenylene vinylene)s and oligothiophenes

D. Beljonne*, J. Cornil, Jean-Luc Bredas, R. H. Friend

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

37 Scopus citations

Abstract

By means of a high-level configuration interaction technique, we describe the nature of the lowest singlet and triplet excited states in oligo(phenylene vinylene)s and oligothiophenes. We first calculate the evolution with chain length of the singlet-singlet and triplet-triplet excitation energies, as well as that of the singlet-triplet energy difference. The theoretical results compare favorably with the available experimental data. We then investigate the geometry relaxation phenomena occurring in the lowest excited states of model oligomers. We found that the lowest triplet state is characterized by more pronounced and local lattice distortions than the singlet state, especially in the case of the phenylene vinylene oligomers.

Original languageEnglish (US)
Pages (from-to)61-65
Number of pages5
JournalSynthetic Metals
Volume76
Issue number1-3
DOIs
StatePublished - Jan 1 1996

Keywords

  • Excited states
  • Oligo(phenylene vinylene)
  • Oligothiophene

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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