Structure - Second-order polarizability relationship in chromophores incorporating a spacer: A joint experimental and theoretical study

C. Maertens, C. Detrembleur, P. Dubois, R. Jérôme*, C. Boutton, A. Persoons, T. Kogej, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

A joint theoretical and experimental study is reported on the structure- polarizability relationship in a novel type of push-pull conjugated system which contains a spacer within the conjugated backbone. The chromophores are based on a dithienyl conjugation pathway, spaced by a keto group, and selectively end-capped by a donor and an acceptor. Four chromophores were synthesized, in which the strength of the acceptor group and the length of the conjugated path were varied. The electronic properties of two model compounds were studied theoretically by means of correlated quantum-chemical calculations. The degree of ground-state polarization was varied in the calculations by the application of an external electric field and varied experimentally by the modification of the dielectric constant of a binary mixture of solvents. The linear and nonlinear optical properties of the compounds (measured in solution by hyper-Rayleigh scattering) are discussed in detail.

Original languageEnglish (US)
Pages (from-to)369-380
Number of pages12
JournalChemistry - A European Journal
Volume5
Issue number1
StatePublished - Jan 1 1999

Keywords

  • Donor-acceptor systems
  • Ketones
  • Nonlinear optics
  • Semiempirical calculations
  • Solvent effects

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Organic Chemistry

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