A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(-I)/Co(0)/Co(+I) Catalytic Cycle for Co(-I)-Catalyzed Hydrogenation

Wu, Song-Bai1,2,3; Zhang, Tonghuan1,2,3; Chung, Lung Wa2,3; Wu, Yun-Dong1,4

2019-01-18

10.1021/acs.orglett.8b03463

ORGANIC LETTERS   影响因子和分区

1523-7060

1523-7052

Hydrogenation catalyzed by unusually low-valent Co(-I) and Fe(-I) catalysts were recently reported. In contrast to the classical M(I)/M(III) (M = Rh or Ir) or Ir(III)/Ir(V) catalytic cycles in the singlet state (adiabatic reactions) for Rh- or Ir-catalyzed hydrogenation, our systematic DFT study elucidates a new Co(-I)/Co(0)/Co(+I) catalytic cycle involving both singlet and triplet states (nonadiabatic reaction). Also, the more electron-rich cobalt center of the Co(-I) catalyst was found to contribute higher reactivity for alkene hydrogenation.

SCI

英语

NI期刊

通讯

Shenzhen Nobel Prize Scientists Laboratory Project[C17783101]

Chemistry

Chemistry, Organic

WOS:000456633000003

AMER CHEMICAL SOC

CHEMISTRY

Web of Science

1.Peking Univ, Shenzhen Grad Sch, State Key Lab Chem Oncogen, Lab Computat Chem & Drug Design, Shenzhen 518055, Peoples R China
2.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Peoples R China
3.Southern Univ Sci & Technol, Shenzhen Grubbs Inst, Shenzhen 518055, Peoples R China
4.Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China

Wu, Song-Bai,Zhang, Tonghuan,Chung, Lung Wa,et al. A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(-I)/Co(0)/Co(+I) Catalytic Cycle for Co(-I)-Catalyzed Hydrogenation[J]. ORGANIC LETTERS,2019,21(2):360-364.

Wu, Song-Bai,Zhang, Tonghuan,Chung, Lung Wa,&Wu, Yun-Dong.(2019).A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(-I)/Co(0)/Co(+I) Catalytic Cycle for Co(-I)-Catalyzed Hydrogenation.ORGANIC LETTERS,21(2),360-364.

Wu, Song-Bai,et al."A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(-I)/Co(0)/Co(+I) Catalytic Cycle for Co(-I)-Catalyzed Hydrogenation".ORGANIC LETTERS 21.2(2019):360-364.