Electronic structure and second-order polarizability of benzodithiapolyenals

F. Meyers*, J. Zyss, J. L. Brédas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


The electronic structure and second-order polarizability, β, are calculated at the ab initio level for two series of novel push-pull polyene molecules, benzodithiapolyenals and dithiolylidenepolyenals. The benzodithiapolyenal molecules have recently been reported to present among the largest μ.β values ever measured. The theoretical results allow for an in-depth understanding of the properties of these compounds.

Original languageEnglish (US)
Pages (from-to)3191-3194
Number of pages4
JournalSynthetic Metals
Issue number1-2
StatePublished - Jun 7 1991
Externally publishedYes

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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