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

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

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Abstract

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
Volume111
DOIs
Publication statusPublished - Jun 1 2000

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Polymers and Plastics

Cite this

De Souza, M. M., Rumbles, G., Gould, I. R., Amer, H., Samuel, I. D. W., Moratti, S. C., & Holmes, A. B. (2000). Theoretical and experimental study of cyano- and alkoxy-substituted phenylenevinylene model compounds. Synthetic Metals, 111, 539-543. https://doi.org/10.1016/S0379-6779(99)00415-4