A proposal of spin-and charge-modulated open-shell nonlinear optical systems

M. Nakano, B. Champagne, E. Botek, R. Kishi, T. Nitta, K. Yamaguchi

Research output: Contribution to journalArticle

Abstract

The second hyperpolarizabilities (γ) for three spin states (doublet, quartet and sextet) of π-conjugated molecules with a charged defect are investigated as a model of novel spin- and charge- modulated nonlinear optical systems. It turns out from the UCCSD(T) results that a charged defect makes the γ̇ negative in sign for low and intermediate spin states (doublet and quartet) while the highest spin, sextet, state exhibits remarkably enhanced positive γ value.

Original languageEnglish
Pages (from-to)309-312
Number of pages4
JournalSynthetic Metals
Volume154
Issue number1-3
DOIs
Publication statusPublished - 22 Sep 2005

Keywords

  • Hyperpolarizability
  • Nonlinear optics
  • Open-shell system
  • Radical
  • Spin multiplicity

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