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8 碱协助的内部亲电取代模式的C―H键活化的活化能 (a) Co(III)-mediated C―H alkylations of indoles (computational method: DFT with the TPSS-D3-(BJ) functional in 1, 2-dichloroethane solvent); (b) Ru-mediated C―H bond activation of benzamide (computational method: DFT with the B3LYP functional in tetrahydrofuran solvent). The bond lengths are in angstroms.

Fig 8 Activation free energies of base-assisted internal electrophilic substitution-type C―H cleavage