Hydrogenation of Carbon Dioxide to Methanol Catalyzed by Iron, Cobalt, and Manganese Cyclopentadienone Complexes: Mechanistic Insights and Computational Design

产品简述

期刊

Chemistry - A European Journal


标题

Hydrogenation of Carbon Dioxide to Methanol Catalyzed by Iron, Cobalt, and Manganese Cyclopentadienone Complexes: Mechanistic Insights and Computational Design


作者

Hongyu Ge, Xiangyang Chen, Xinzheng Yang


摘要

Hydrogenation of CO2 to methanol is one of the most attractive ways for carbon dioxide recycle and hydrogen storage. Our computationally designed Fe, Co, and Mn cyclopentadienone complexes are promising low-cost catalysts for hydrogenation of CO2 to methanol. Density functional theory calculations also reveal a methanol- or water-mediated proton-transfer mechanism for H2 cleavage and a direct C−O bond-breaking process for the formation of formaldehyde as key steps in the catalytic reaction


原文链接

http://onlinelibrary.wiley.com/doi/10.1002/chem.201701991/full

2017年07月14日

添加时间:

Alternative Mechanistic Strategy for Enzyme Catalysis in a Ni-Dependent Lactate Racemase (LarA): Intermediate Destabilization by the Cofactor

上一个:

下一个:

Frontispiece: Porous Nitrogen-Doped Carbon Microspheres Derived from Microporous Polymeric Organic Frameworks for High Performance Electric Double-Layer Capacitors
  • 1
本网站由阿里云提供云计算及安全服务