引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 514次   下载 597 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Light-Induced Reaction of Benzene with Carbonates
Ming-song Jia,Chun-hua Dong,Hua-ye Zhangd,Xin-zheng Yang
Author NameAffiliationE-mail
Ming-song Jia Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China;University of Chinese Academy of Sciences, Beijing 100049, China  
Chun-hua Dong Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China;University of Chinese Academy of Sciences, Beijing 100049, China;School of Chemistry, Chemical Engineering and Material, Handan Key Laboratory of Organic Small Molecule Materials, Handan College, Handan 056005, China  
Hua-ye Zhangd Chemistry and Materials Department, Huaibei Normal University, Huaibei 235000, China  
Xin-zheng Yang Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China xyang@iccas.ac.cn 
Abstract:
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.
Key words:  Benzene  Carbonates  Light-induced reaction  Density function theory calcu-lation  Mechanism
FundProject:This work was supported he 100-Talent Program of Chinese Academy of Sciences, the \One-Three-Five" Strategic Planning of Institute of Chemistry, CAS (No.CMSPY-201305), and the National Natural Science Foundation of China (No.21373228)
苯与碳酸盐的光诱导反应
姬铭松,董春华,张华烨,杨新征
摘要:
碳酸钠水溶液与苯可在室温及紫外光照射下发生反应,生成苯甲酸钠和联苯.反应发生在苯与水溶液的界面.在光照5 h后,11.4%的苯转化为联苯与苯甲酸钠,产物分别分布在苯和水溶液中.用DFT 和TDDFT计算研究了这一体系的反应机理,发现碳酸钠不仅仅是生成苯甲酸钠的反应物之一,也可催化联苯的生成.
关键词:    碳酸盐  光诱导  反应机理  密度泛函理论
DOI:10.1063/1674-0068/29/cjcp1510204
分类号: