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- W1967302512 endingPage "8974" @default.
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- W1967302512 abstract "The first hyperpolarizability β of n-alkanamides of 4-amino-N-(thiazol-2-yl)benzesulfonamide (A) and 4-amino-N-(pyrimidin-2-yl)benzenesulfonamide (B) was evaluated by ab initio (Gaussian, GAMESS) and semiempirical (INDO1/S) calculations. The results obtained at the ab initio level showed that the values of β of the chromophores were 3.5−4 times that of p-nitroaniline. The calculations by INDO1/S gave preference to A and in absolute scale the β values were 104.6 and 90.9 × 10-40 m4/V for A and B, respectively, and they were slightly lower than those from ab initio. Fluorescence solvatochromism and hyper-Rayleigh scattering (HRS) was applied to determine experimentally the first hyperpolarizability of two amphiphiles containing n-hexadecanoyl (A) and n-decanoyl (B) radical. The values of β obtained by the fluorescence solvatochromism were in the same range for A and B, and were (94−100) × 10-40 m4/V while the HRS procedure gave preference to B yielding 252.1 and 197.8 (at 1064 nm), and 113.1 and 88.8 (static) for B and A, respectively (all in × 10-40 m4/V). The role of the heterocyclic ring of the chromophore molecule in the electron donating−accepting process was shortly discussed." @default.
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- W1967302512 date "1997-10-01" @default.
- W1967302512 modified "2023-10-01" @default.
- W1967302512 title "First Hyperpolarizability of the Heterocyclic Sulfonamides for Langmuir−Blodgett Films by Calculation, Solvatochromism, and Hyper-Rayleigh Scattering" @default.
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- W1967302512 doi "https://doi.org/10.1021/jp972188n" @default.
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