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题名: Light-Induced Reaction of Benzene with Carbonates
作者: Ji, Ming-song1, 2; Dong, Chun-hua1, 2, 3; Zhang, Hua-ye4; Yang, Xin-zheng1
关键词: Benzene ; Carbonates ; Light-induced reaction ; Density function theory calculation ; Mechanism
刊名: CHINESE JOURNAL OF CHEMICAL PHYSICS
发表日期: 2016-06-01
卷: 29, 期:3, 页:319-324
收录类别: SCI
英文摘要: 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.
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.iccas.ac.cn/handle/121111/35384
Appears in Collections:分子动态与稳态结构实验室_期刊论文

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作者单位: 1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Inst Chem, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Handan Key Lab Organ Small Mol Mat, Handan Coll, Sch Chem Chem Engn & Mat, Handan 056005, Peoples R China
4.Huaibei Normal Univ, Chem & Mat Dept, Huaibei 235000, Peoples R China
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