过渡金属参与C―H键切断模式的理论研究进展

单春晖,白若鹏,蓝宇

Theoretical Advances of Transition Metals Mediated C―H Bonds Cleavage

Chunhui SHAN,Ruopeng BAI,Yu LAN

图5 Rh(III)催化的苯亚胺环化羰基化反应的C―H键切断步的势能面 Adapted from ACS publisher 76. Computational method: DFT with the M11-L functional in toluene solvent). The bond lengths are in angstrom.

Fig 5 Free energy profiles for C―H bond cleavage step of Rh(III) catalyzed cyclocarbonylation with ketimines