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3 铑催化迁移氢甲酰化反应的C―H键对铑氧化加成的势能面 Adapted from ACS publisher 62. Computational method: DFT with the M11-L functional in tetrahydrofuran solvent. The bond lengths are in angstrom

Fig 3 Free energy profiles for C―H bond cleavage of Rhodium-catalyzed transfer hydroformylation by oxidative addition