Theoretical investigation of the second-order nonlinear optical properties of calix[4]arene molecules

E. Brouyère*, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

We investigate theoretically the second-order nonlinear optical properties of a new class of compounds presenting more than one [Donor-π conjugated segment-Acceptor] unit in a single molecule: the calix[4]arenes. We calculate the second-order polarizabilities β for four conformers of calix[4]arenes; namely, the cone, partial cone, 1,2-alternate and 1,3-alternate conformations. The theoretical results are compared with Electric-Field-Induced Second Harmonic Generation (EFISGH) and Hyper Rayleigh Scattering (HRS) experimental data. We describe the evolution of the β response with the change of conformation and point out the presence of strong π-π cofacial interactions which shift the charge transfer bands to shorter wavelengths.

Original languageEnglish (US)
Pages (from-to)1699-1700
Number of pages2
JournalSynthetic Metals
Volume71
Issue number1-3
DOIs
StatePublished - Apr 1 1995

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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