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 Brédas

doi:10.1002/cphc.200301023

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 Brédas

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

30 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 language	English (US)
Pages (from-to)	982-988
Number of pages	7
Journal	ChemPhysChem
Volume	5
Issue number	7
DOIs	https://doi.org/10.1002/cphc.200301023
State	Published - Jul 19 2004
Externally published	Yes

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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10.1002/cphc.200301023

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

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.",

keywords = "Electron correlation, Nonlinear optics, Semiempirical calculations, Structure-property relationships, Two-photon absorption",

author = "Egbert Zojer and Wim Wenseleers and Marcus Halik and Cara Grasso and Stephen Barlow and Perry, {Joseph W.} and Marder, {Seth R.} and Br{\'e}das, {Jean Luc}",

year = "2004",

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doi = "10.1002/cphc.200301023",

language = "English (US)",

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TY - JOUR

T1 - Two-photon absorption in linear bis-dioxaborine compounds - The impact of correlation-induced oscillator-strength redistribution

AU - Zojer, Egbert

AU - Wenseleers, Wim

AU - Halik, Marcus

AU - Grasso, Cara

AU - Barlow, Stephen

AU - Perry, Joseph W.

AU - Marder, Seth R.

AU - Brédas, Jean Luc

PY - 2004/7/19

Y1 - 2004/7/19

N2 - 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.

AB - 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.

KW - Electron correlation

KW - Nonlinear optics

KW - Semiempirical calculations

KW - Structure-property relationships

KW - Two-photon absorption

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

Abstract

Keywords

ASJC Scopus subject areas

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