Intramolecular dipolar coupling enhancement of the first-order molecular hyperpolarizability in a polar solvent

Ricky M S WONG; Jean Francois Nicoud; Claude Runser; Alain Fort; Marguerite Barzoukas; Eve Marchal

doi:10.1016/0009-2614(96)00224-2

Intramolecular dipolar coupling enhancement of the first-order molecular hyperpolarizability in a polar solvent

Ricky M S WONG^*, Jean Francois Nicoud, Claude Runser, Alain Fort, Marguerite Barzoukas, Eve Marchal

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Journal article › peer-review

16 Citations (Scopus)

Abstract

The effect of intramolecular coupling on the first-order molecular hyperpolarizability in a bis-chromophoric system was theoretically and experimentally investigated. According to finite-field calculations using AM 1 parameters, the effective hyperpolarizability of a bis-chromophore is essentially a vectorial addition of that of the corresponding monomers. However, the EFISH-derived effective hyperpolarizabilities of the bis-chromophores do not follow the additive model. Interestingly, the effective hyperpolarizabilities of the bis-chromophores are significantly enhanced as the solvent polarity increases, which is not observed in those of the corresponding monomeric counterparts.

Original language	English
Pages (from-to)	141-144
Number of pages	4
Journal	Chemical Physics Letters
Volume	253
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(96)00224-2
Publication status	Published - 26 Apr 1996

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Physics and Astronomy(all)
Physical and Theoretical Chemistry

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title = "Intramolecular dipolar coupling enhancement of the first-order molecular hyperpolarizability in a polar solvent",

abstract = "The effect of intramolecular coupling on the first-order molecular hyperpolarizability in a bis-chromophoric system was theoretically and experimentally investigated. According to finite-field calculations using AM 1 parameters, the effective hyperpolarizability of a bis-chromophore is essentially a vectorial addition of that of the corresponding monomers. However, the EFISH-derived effective hyperpolarizabilities of the bis-chromophores do not follow the additive model. Interestingly, the effective hyperpolarizabilities of the bis-chromophores are significantly enhanced as the solvent polarity increases, which is not observed in those of the corresponding monomeric counterparts.",

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T1 - Intramolecular dipolar coupling enhancement of the first-order molecular hyperpolarizability in a polar solvent

AU - WONG, Ricky M S

AU - Nicoud, Jean Francois

AU - Runser, Claude

AU - Fort, Alain

AU - Barzoukas, Marguerite

AU - Marchal, Eve

PY - 1996/4/26

Y1 - 1996/4/26

N2 - The effect of intramolecular coupling on the first-order molecular hyperpolarizability in a bis-chromophoric system was theoretically and experimentally investigated. According to finite-field calculations using AM 1 parameters, the effective hyperpolarizability of a bis-chromophore is essentially a vectorial addition of that of the corresponding monomers. However, the EFISH-derived effective hyperpolarizabilities of the bis-chromophores do not follow the additive model. Interestingly, the effective hyperpolarizabilities of the bis-chromophores are significantly enhanced as the solvent polarity increases, which is not observed in those of the corresponding monomeric counterparts.

AB - The effect of intramolecular coupling on the first-order molecular hyperpolarizability in a bis-chromophoric system was theoretically and experimentally investigated. According to finite-field calculations using AM 1 parameters, the effective hyperpolarizability of a bis-chromophore is essentially a vectorial addition of that of the corresponding monomers. However, the EFISH-derived effective hyperpolarizabilities of the bis-chromophores do not follow the additive model. Interestingly, the effective hyperpolarizabilities of the bis-chromophores are significantly enhanced as the solvent polarity increases, which is not observed in those of the corresponding monomeric counterparts.

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U2 - 10.1016/0009-2614(96)00224-2

DO - 10.1016/0009-2614(96)00224-2

M3 - Journal article

AN - SCOPUS:0030602517

SN - 0009-2614

VL - 253

SP - 141

EP - 144

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

Intramolecular dipolar coupling enhancement of the first-order molecular hyperpolarizability in a polar solvent

Abstract

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