Poling behavior of optical absorption spectra in carbazoles with one- and two-dimensional charge-transfer character

Takashi Isoshima*, Tatsuo Wada, Ya Dong Zhang, Eddy Brouyère, Jean Luc Brédas, Hiroyuki Sasabe

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

Abstract

Spectral change in optical absorption due to molecular alignment induced by electric poling has been studied experimentally and theoretically, in one- and two-dimensional charge-transfer carbazole molecules. After poling, an increase in absorbance at λmax was observed in 3,6-dinitrocarbazoles which present a two-dimensional charge-transfer character, while the absorbance at λmax decreased in 3-monosubstituted carbazoles which possess a one-dimensional charge-transfer character. From molecular-orbital calculations and evaluations of the molecular polarizability spectra for random and uniaxial orientations of the molecules, an explanation is provided for the poling behavior in terms of the vector directions of the transition and ground-state dipole moments of the molecules. Theoretical investigation of various conformers has been made, resulting in the suggestion that the poling behavior of absorption spectra should be strongly affected by the conformation of the acceptor groups in the case of disubstituted carbazoles.

Original languageEnglish (US)
Pages (from-to)2467-2475
Number of pages9
JournalJournal of Chemical Physics
Volume104
Issue number7
StatePublished - 1996
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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