本文评述了饱和烃C—H键活化的最近进展,从配位催化和量子化学的观点,推断了饱和烃C—H键活化及其配位催化反应的机理:首先是它的非定域轨道里的电子对配位在催化剂中心金属的d_z~2/d_■~2-■~2混合轨道上,然后电子从催化剂的HOMO流向底物的LUMO,发生氧化加成反应,生成烷基金属氢化物过渡态,最后经插入反应、还原消除反应,完成整个催化循环。此外,还展望了未来的发展前景。 In this paper, the recent progress in the activation of C-H bonds in saturated hydrocarbons is reviewed. From the viewpoint of coordination and quantum chemistry, the mechanism of activation of C-H bonds and the coordination reaction catalyzed by saturated hydrocarbons is deduced: firstly, The electron pair is coordinated in the d_z ~ 2 / d_ ~ ~ 2 ~ ~ ~ 2 mixed orbitals of the central metal of the catalyst, and then the electrons undergo oxidation addition reaction from the HOMO of the catalyst to the LUMO of the substrate to generate a metal alkyl hydrogenation The transition state, the final insertion reaction, reduction and elimination reaction, complete the entire catalytic cycle. In addition, it also looks forward to the future development prospects.