Zhao Jiyang, Wang Guoqiang, Li Shuhua
School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Institute of Theoretical and Computational Chemistry, Nanjing University, 22 Hankou Road, Nanjing, Jiangsu 210093, P. R. China.
Chem Commun (Camb). 2015 Oct 28;51(84):15450-3. doi: 10.1039/c5cc06808h.
Density functional theory investigations reveal that the intramolecular additions of N-CN bonds to alkenes proceed in a novel asynchronous and concerted mechanism, while the intramolecular addition of O-CN bonds to alkenes may occur by both concerted and stepwise pathways.
密度泛函理论研究表明，N-CN键与烯烃的分子内加成以一种新颖的异步协同机制进行，而O-CN键与烯烃的分子内加成可能通过协同和逐步途径发生。
