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• W2080871164 abstract "Abstract Six novel 1,3,4-oxadiazole derivatives containing naphthalene and stibene units were synthesized by Wittig–Horner reaction in good yield. Their structures were characterized by FT-IR, 1 H NMR, 13 C NMR and elemental analysis. The optical properties were investigated by UV–Vis absorption and fluorescence emission spectra in THF solution. Their optimized structures and the electron density distribution of HOMO and LUMO were performed by density functional theory (DFT) at the (B3LYP)/6-31G * level. The compounds exhibit blue fluorescence emission with the fluorescence quantum yield ranged from 0.05 to 0.59. The effects of substituents on the emission spectra of these compounds are interpreted. The HOMO and LUMO levels of target compounds are −5.86 to −5.64 eV and −2.79 to −2.13 eV, respectively." @default.
• W2080871164 created "2016-06-24" @default.
• W2080871164 creator A5003618697 @default.
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• W2080871164 date "2014-02-01" @default.
• W2080871164 modified "2023-09-26" @default.
• W2080871164 title "Novel 2-(naphthalen-1-yl)-5-stilbene-1,3,4-oxadiazole molecules: Synthesis, optical properties and DFT calculation" @default.
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• W2080871164 doi "https://doi.org/10.1016/j.molstruc.2013.12.022" @default.
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