Electro-optic response of chiral helicenes in isotropic media

D. Beljonne*, Z. Shuai, Jean-Luc Bredas, M. Kauranen, T. Verbiest, A. Persoons

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

45 Scopus citations

Abstract

Correlated quantum-chemical calculations are used to estimate the second-order electro-optic response of chiral helicene molecules in isotropic media. Dephasing-induced terms are included in a sum-over-states (SOS) perturbation formalism derived from the density-matrix expression. Besides the usual resonances associated with intrinsic electronic excitations of the material, resonant peaks are found at optical frequencies corresponding to energy differences between intermediate excited states. The mechanism for such resonance phenomena in helicenes is analyzed in the framework of a configuration interaction description of the singlet excited states. The possibility is discussed that in such a resonance regime the optical field can experience gain without linear loss.

Original languageEnglish (US)
Pages (from-to)1301-1304
Number of pages4
JournalJournal of Chemical Physics
Volume108
Issue number4
DOIs
StatePublished - Jan 22 1998

ASJC Scopus subject areas

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

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