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

doi:10.1063/1.1473818

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 journal › Article › peer-review

57 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 language	English
Pages (from-to)	9165-9173
Number of pages	9
Journal	Journal of Chemical Physics
Volume	116
Issue number	21
DOIs	https://doi.org/10.1063/1.1473818
Publication status	Published - 2002 Jun 1
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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

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.",

author = "Minhaeng Cho and An, {Sun Young} and Hochan Lee and Isabelle Ledoux and Joseph Zyss",

year = "2002",

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doi = "10.1063/1.1473818",

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T2 - Effective five-state model approach

AU - Cho, Minhaeng

AU - An, Sun Young

AU - Lee, Hochan

AU - Ledoux, Isabelle

AU - Zyss, Joseph

PY - 2002/6/1

Y1 - 2002/6/1

N2 - 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.

AB - 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.

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U2 - 10.1063/1.1473818

DO - 10.1063/1.1473818

M3 - Article

AN - SCOPUS:0036607071

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SP - 9165

EP - 9173

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 21

ER -

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

Abstract

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