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• W2984683838 endingPage "117772" @default.
• W2984683838 startingPage "117772" @default.
• W2984683838 abstract "Five chalcone-based molecules denominated by C-3 ((E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one), C-4 ((E)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one), C-5 ((E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one), C-6 ((E)-3-(naphthalen-1-yl)-1-phenylprop-2-en-1-one) and C-7 ((E)-1-(4-methoxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one) were synthesized by Claisen-Schmidt reaction in solution of NaOH in water/ethanol 2:1. The aldehydes used were benzaldehyde, anisaldehyde, and β-naphthaldehyde, while the used ketones were acetophenone, p-methoxyacetophenone, and 3,4-methylenedioxyacetophenone. Z-scan and hyper-Rayleigh scattering techniques were used to study the nonlinear optical properties of these compounds in dichloromethane medium. By using Z-scan technique with femtosecond pulses, two-photon absorption cross-sections (σTPA) were determined, while the first molecular electronic hyperpolarizabilities (βHRS) were evaluated by the hyper-Rayleigh scattering technique, with picosecond pulses. From the recorded two-photon absorption spectra, it was identified that compound C-7 presented the highest σTPA, regarding the HOMO-LUMO transition, with a value of 40 GM, while C-6 achieved the lowest value for the same transition with 13 GM. Concerning the values of the first molecular hyperpolarizability, compound C-4 presented the highest value, 38 × 10−30 cm4 statvolt−1, while C-3 presented the lowest βHRS value of about 16 × 10−30 cm4 statvolt−1. Time-dependent density functional theory calculations were used to simulate the one- and two-photon absorption spectra, as well to predict the theoretical value of βHRS in dichloromethane and vacuum medium." @default.
• W2984683838 created "2019-11-22" @default.
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• W2984683838 date "2020-02-01" @default.
• W2984683838 modified "2023-10-12" @default.
• W2984683838 title "Chalcone-based molecules: Experimental and theoretical studies on the two-photon absorption and molecular first hyperpolarizability" @default.
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• W2984683838 doi "https://doi.org/10.1016/j.saa.2019.117772" @default.
• W2984683838 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31707018" @default.
• W2984683838 hasPublicationYear "2020" @default.
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