高等学校化学学报2001，Vol.22Issue(2)：293-295,3.
咪唑啉盐向邻苯二胺转移一碳单元反应的理论研究
Theoretical Study on One-carbon Unit Transfer Reaction of Imidazolinium to 1,2-Diaminobenzene
摘要
Abstract
One-carbon unit transfer reaction of imidazolinium with 1,2-diaminobenzene has been studied with semi-empirical molecular orbital calculations, PM3. The result shows that there are two ways to complete this reaction because the imidazolinium ring has two different breaking patterns. These two ways both have seven steps, including two proton-migrating steps that limit the rate of the reaction. The structures and energies of the intermediates and transition states have been calculated.关键词
一碳单元转移反应/咪唑啉盐/邻苯二胺/PM3方法分类
化学化工引用本文复制引用
康从民,冯大诚,蔡政亭..咪唑啉盐向邻苯二胺转移一碳单元反应的理论研究[J].高等学校化学学报,2001,22(2):293-295,3.基金项目
国家自然科学基金 （）
