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Light-Induced Reaction of Benzene with Carbonates

苯与碳酸盐的光诱导反应
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摘要 We found an ultraviolet (UV)-light induced formation of biphenyl and sodium benzoate from benzene and sodium carbonate. The reaction happens in the interface of benzene and aqueous solution at the room temperature. After 5 h of UV-light exposure, 11.4% of initial amount of 4.4 g (5.0 mL) benzene are converted to biphenyl and sodium benzoate, which are distributed in benzene and aqueous solution, respectively. Using density function theory (DFT) and time dependent DFT, we have investigated the mechanism of this light-induced reaction, and found that the sodium carbonate is not only a reactant for the formation of sodium benzoate, but also a catalyst for the formation of biphenyl.
出处 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2016年第3期319-324,I0001,共7页 化学物理学报(英文)
关键词 BENZENE CARBONATES Light-induced reaction Density function theory calcu-lation MECHANISM 碳酸盐 光诱导 反应机理 密度泛函理论
分类号 O [理学]
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