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

✍ Scribed by Man Shing Wong; Jean-Francois Nicoud; Claude Runser; Alain Fort; Marguerite Barzoukas; Eve Marchal

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
264 KB
Volume
253
Category
Article
ISSN
0009-2614

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✦ Synopsis

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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