摘要
本文利用结构相关(?)方法对碳氢键活化反应的氧化加成反应机理进行了研究.建立了反应的过渡态,并对反应途径进行了描述.根据所得到的反应途径对碳氢键活化研究中的一些问题进行了解释.
Structure correlation method was used to investigate the react ion mechanism of carbon-hydrogen bond activation with 19 agostic and 10 alkyl transition metal hydrides from the Cambridge Structure Database. A reaction path was established as such that hydrogen atom in the C-H bondpoints to the metal when started, but as the reaction goes, C-H bond comes to the metal atom along with the rotation of the carbon atom towards it. An approximate model of the transition state of the reaction was established with carbon hydrogen bond distance at 1.32 A and M-C, M-H bond distances near those of their ordinary single bonds.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
1991年第3期323-328,共6页
Chinese Journal of Inorganic Chemistry
基金
科学基金资助项目
关键词
碳氢键
结构相关
键活化
structural correlation, carbon-hydrangea bond actlvation crystal structure data
