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7 (a)钴催化炔烃的C―H氢化反应；(b) Ni催化的苯甲酰胺与烷基卤化物的C―H活化反应 (a) computational method: DFT with the M11-L functional in trifluoroethanol solvent; (b) Computational method: DFT with the B3LYP-D3 functional in toluene solvent. The bond lengths are in angstroms.

Fig 7 (a) Cobalt-catalyzed C―H hydroarylation of alkyne; (b) Ni-catalyzed C―H activation of benzamides with alkyl halides