Theoretical and experimental study of cyano- and alkoxy-substituted phenylenevinylene model compounds

M. M. De Souza, G. Rumbles, I. R. Gould, H. Amer, I. D.W. Samuel, S. C. Moratti, A. B. Holmes

Research output: Contribution to journalConference articlepeer-review

43 Citations (Scopus)


We present a theoretical and experimental investigation of methoxy- and cyano-substituted p-phenylenevinylene model compounds. The compound containing both the alkoxy and cyano substitution exhibits a drop in the quantum yield relative to the singly-substituted alkoxy or alkyl compounds. In addition the emission spectrum loses structure and shifts to the red. Model calculations are performed on the chromophore and ab-initio CIS calculations show that the first excited state HOMO to LUMO transition is delocalised in methoxy-substituted compounds and localised on methoxy- and cyano-substituted compounds.

Original languageEnglish
Pages (from-to)539-543
Number of pages5
JournalSynthetic Metals
Publication statusPublished - Jun 1 2000
Event2nd International Conference on Electroluminescence of Molecular Materials and Related Phenomena (ICEL-2) - Sheffield, UK
Duration: May 15 1999May 18 1999

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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