苯炔的生成与加成反应  

Formation and Addition Reactions of Phenylene

作　　者：孙金鱼[1] 王迎进[1] 赵明根[1] SUN Jinyu;WANG Yingjin;ZHAO Minggen(Key Laboratory of Materials and Computational Chemistry/Department of Chemistry,Xinzhou Teachers University,Xinzhou 034000,China)

机构地区：[1]忻州师范学院化学系/山西省材料与计算化学重点实验室,山西忻州034000

出　　处：《忻州师范学院学报》2021年第2期10-13,共4页Journal of Xinzhou Teachers University

基　　金：忻州师范学院教改项目(JGZD201907)。

摘　　要：苯炔作为有机反应中间体在有机化学中十分重要,同时也是学生学习中难于理解的重要知识点。文章从理论上分析阐述了苯炔中间体的生成反应和加成反应规律,并运用密度泛函理论方法计算了苯炔加成反应的中间体能量,获得相应的能量数据。对比分析发现,计算结果支持反应规律。As an intermediate of organic reaction,phenylalkyne plays an important role in organic chemistry.Meanwhile,and it is also an important knowledge point that is difficult to understand for students.In this paper,the laws of the formation and addition reactions of the benzyne intermediate were analyzed theoretically.In addition,the energies of intermediates for the addition of phenylyne were calculated by density functional theory methods.It is found that the calculated results absolutely support the reaction law.

关 键 词：苯炔 中间体 机理 理论计算 

分 类 号：O621.1[理学—有机化学]