Two-photon absorption in linear bis-dioxaborine compounds - The impact of correlation-induced oscillator-strength redistribution

Egbert Zojer*, Wim Wenseleers, Marcus Halik, Cara Grasso, Stephen Barlow, Joseph W. Perry, Seth R. Marder, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

26 Scopus citations

Abstract

Quantum-chemical calculations of the two-photon absorption (TPA) cross-sections are used to determine the characteristics of the electronic excited states responsible for the observed peaks in the TPA spectra of two bis-dioxaborine-substituted biphenyl derivatives. We find two distinct TPA-active states with very different TPA cross-sections; the difference is explained on the basis of electron correlation. These effects, on the one hand, lead to TPA cross-sections of up to 500x10-50 cm 4sphoton-1 for the state favored by correlation; on the other hand, they limit the overall cross-sections achievable in this class of materials.

Original languageEnglish (US)
Pages (from-to)982-988
Number of pages7
JournalChemPhysChem
Volume5
Issue number7
DOIs
StatePublished - Jul 19 2004

Keywords

  • Electron correlation
  • Nonlinear optics
  • Semiempirical calculations
  • Structure-property relationships
  • Two-photon absorption

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physical and Theoretical Chemistry

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