Nonlinear optical properties of tetrahedral donor-acceptor octupolar molecules: Effective five-state model approach

Minhaeng Cho, Sun Young An, Hochan Lee, Isabelle Ledoux, Joseph Zyss

Research output: Contribution to journalArticle

47 Citations (Scopus)

Abstract

The molecular nonlinear optical properties of tetrahedral donor-acceptor molecules were theoretically descripted using a valence bond and four charge-transfer state model. Ab initio calculations of the first hyperpolarizabilities of three different series of tetrahedral molecules were carried out for the confirmation of the theoretical predictions. Octupolar molecule with tetrahedral symmetry was considered following a symmetry-based prescription.

Original languageEnglish
Pages (from-to)9165-9173
Number of pages9
JournalJournal of Chemical Physics
Volume116
Issue number21
DOIs
Publication statusPublished - 2002 Jun 1
Externally publishedYes

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Nonlinear optical properties of tetrahedral donor-acceptor octupolar molecules: Effective five-state model approach'. Together they form a unique fingerprint.

  • Cite this