利用结构相关性方法研究碳氢键活化反应C-H+M■的机理  

STUDIES ON THE MECHANISM OF CARBON-HYDROGEN BOND ACTIVATION REACTION BY STRUCTURE CORRELATION METHOD

作　　者：来鲁华[1] 徐筱杰[1] 罗宇[1] 邵美成[1] 唐有祺[1] 周家驹[2] 

机构地区：[1]北京大学物理化学研究所,北京100871 [2]中国科学院化学冶金所,北京100080

出　　处：《无机化学学报》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

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.

关 键 词：碳氢键 结构相关 键活化 

分 类 号：O621.254.1[理学—有机化学]