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4 在羧酸配阴离子协助下Rh(III)参与的协同金属化-去质子化模式的C―H键断裂 The activation free energies were calculated by DFT with the M11-L functionals (a) in1, 4-dioxane solvent, (b) in 1, 2-dichloroethane solvent, (c) in 1, 2-dichloroethane solvent, and (d) in 1, 4-dioxane solvent. The bond lengths are in angstrom.

Fig 4 Rh(III)-mediated C―H bondcleavage by concerted metalation-deprotonation with the aid of carboxylate