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- W2034719078 abstract "Abstract Ethyl 5-(4-aminophenyl)-3-amino-2,4-dicyanobenzoate (EAADCy) and ethyl 5-(4-dimethylaminophenyl)-3-amino-2,4-dicyanobenzoate (EDMAADCy) organic molecules containing separate electron donor and electron acceptor groups belong to biphenyl derivatives in which a large dipole moment change between ground (S0) and the first intramolecular charge transfer excited (S1) states, as well as a large transition moment have been noted. The existence of electronically excited states with a strong intermolecular charge transfer (ICT) character is an essential prerequisite for large non-linear optical properties. Therefore, in this paper, we present a scrupulous analysis of the first-order hyperpolarizabilities of the studied molecules using an equivalent internal field model of an organic molecule. The calculated (using semiempirical calculations, CAChe WS 5.04) additive part of the first-order hyperpolarizability, β add , values are discussed in relationship to the experimental data of the charge transfer hyperpolarizability, β CT , obtained from steady-state spectroscopic measurements." @default.
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- W2034719078 date "2009-10-01" @default.
- W2034719078 modified "2023-10-17" @default.
- W2034719078 title "Determination of first-order molecular hyperpolarizability of EAADCy and EDMAADCy using steady-state spectroscopic data and quantum-chemical calculations" @default.
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- W2034719078 doi "https://doi.org/10.1016/j.optmat.2008.11.022" @default.
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