摘要
本文基于Gaussian09相关软件通过理论计算研究一取代乙烯亲电加成反应的机理和不同取代基的性质,对反应相关物质的分子结构、热力学能量、电荷分布等进行计算和分析,解释了反应机理和不同取代基对一取代乙烯亲电加成反应的影响。
This article based on Gaussian09 related software, theoretically studied the mechanisms about the electrophilic addition reactions of mono-substituted ethylenes and the properties of different substituents. The molecular structures, thermodynamic energies and charge distributions of the reaction-related substances were calculated and analyzed. Moreover, the reaction mechanisms and the effects of substituents on the electrophilic addition reactions of substituted ethylenes were also explained.
作者
陶俊宇
杨静
曹孝蕊
胡莉
樊小青
Tao Junyu;Yang Jing;Cao Xiaorui;Hu Li;Fan Xiaoqing(College of Chemistry and Life Science,Institute of Functional Molecules,Chengdu Normal University,Chengdu 611130,China)
出处
《广东化工》
CAS
2019年第5期24-25,61,共3页
Guangdong Chemical Industry
基金
2018年省级大学生创新创业训练计划项目(201814389120)资助
关键词
乙烯
量子化学
亲电加成
反应机理
取代基
ethylene
quantum chemistry
electrophilic addition
reaction mechanism
substituent
