Theoretical characterization of the second-order nonlinear optical properties of conjugated organic molecules: From dipolar to octupolar compounds

Jean-Luc Bredas*, C. Dehu, F. Meyers, A. Persoons, J. Zyss

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

We present the results of quantum-chemical calculations on the electronic and second-order nonlinear optical properties of two sets of organic conjugated compounds. The first set consists of donor-acceptor diphenylacetylene molecules, which are prototypical of push-pull (dipolar) systems. The theoretical results are compared in detail to the experimental data of Stiegman and co-workers. The second set of compounds deals with so-called octupolar molecules for which the dipolar contributions to β are negligible. The most important result of the calculations is that the octupolar contributions can be very large, as recently confirmed by Hyper-Rayleigh scattering measurements.

Original languageEnglish (US)
Pages (from-to)263-287
Number of pages25
JournalMolecular Crystals and Liquid Crystals Science and Technology Section B: Nonlinear Optics
Volume6
Issue number3-4
StatePublished - Jan 1 1994

ASJC Scopus subject areas

  • Control and Systems Engineering
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Theoretical characterization of the second-order nonlinear optical properties of conjugated organic molecules: From dipolar to octupolar compounds'. Together they form a unique fingerprint.

Cite this