Electro-optic response of chiral helicenes in isotropic media

D. Beljonne; Z. Shuai; J. L. Brédas; M. Kauranen; T. Verbiest; A. Persoons

doi:10.1063/1.475501

Electro-optic response of chiral helicenes in isotropic media

D. Beljonne^*, Z. Shuai, J. L. Brédas, M. Kauranen, T. Verbiest, A. Persoons

^*Corresponding author for this work

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

45 Scopus citations

Abstract

Correlated quantum-chemical calculations are used to estimate the second-order electro-optic response of chiral helicene molecules in isotropic media. Dephasing-induced terms are included in a sum-over-states (SOS) perturbation formalism derived from the density-matrix expression. Besides the usual resonances associated with intrinsic electronic excitations of the material, resonant peaks are found at optical frequencies corresponding to energy differences between intermediate excited states. The mechanism for such resonance phenomena in helicenes is analyzed in the framework of a configuration interaction description of the singlet excited states. The possibility is discussed that in such a resonance regime the optical field can experience gain without linear loss.

Original language	English (US)
Pages (from-to)	1301-1304
Number of pages	4
Journal	JOURNAL OF CHEMICAL PHYSICS
Volume	108
Issue number	4
DOIs	https://doi.org/10.1063/1.475501
State	Published - Jan 22 1998
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Electro-optic response of chiral helicenes in isotropic media",

abstract = "Correlated quantum-chemical calculations are used to estimate the second-order electro-optic response of chiral helicene molecules in isotropic media. Dephasing-induced terms are included in a sum-over-states (SOS) perturbation formalism derived from the density-matrix expression. Besides the usual resonances associated with intrinsic electronic excitations of the material, resonant peaks are found at optical frequencies corresponding to energy differences between intermediate excited states. The mechanism for such resonance phenomena in helicenes is analyzed in the framework of a configuration interaction description of the singlet excited states. The possibility is discussed that in such a resonance regime the optical field can experience gain without linear loss.",

author = "D. Beljonne and Z. Shuai and Br{\'e}das, {J. L.} and M. Kauranen and T. Verbiest and A. Persoons",

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T1 - Electro-optic response of chiral helicenes in isotropic media

AU - Beljonne, D.

AU - Shuai, Z.

AU - Brédas, J. L.

AU - Kauranen, M.

AU - Verbiest, T.

AU - Persoons, A.

PY - 1998/1/22

Y1 - 1998/1/22

N2 - Correlated quantum-chemical calculations are used to estimate the second-order electro-optic response of chiral helicene molecules in isotropic media. Dephasing-induced terms are included in a sum-over-states (SOS) perturbation formalism derived from the density-matrix expression. Besides the usual resonances associated with intrinsic electronic excitations of the material, resonant peaks are found at optical frequencies corresponding to energy differences between intermediate excited states. The mechanism for such resonance phenomena in helicenes is analyzed in the framework of a configuration interaction description of the singlet excited states. The possibility is discussed that in such a resonance regime the optical field can experience gain without linear loss.

AB - Correlated quantum-chemical calculations are used to estimate the second-order electro-optic response of chiral helicene molecules in isotropic media. Dephasing-induced terms are included in a sum-over-states (SOS) perturbation formalism derived from the density-matrix expression. Besides the usual resonances associated with intrinsic electronic excitations of the material, resonant peaks are found at optical frequencies corresponding to energy differences between intermediate excited states. The mechanism for such resonance phenomena in helicenes is analyzed in the framework of a configuration interaction description of the singlet excited states. The possibility is discussed that in such a resonance regime the optical field can experience gain without linear loss.

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M3 - Article

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JF - JOURNAL OF CHEMICAL PHYSICS

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ER -

Electro-optic response of chiral helicenes in isotropic media

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