A DFT study unveils the secret of how H-2 is activated in the N-formylation of amines with CO2 and H-2 catalyzed by Ru(II) pincer complexes in the absence of exogenous additives

作者：Lu, Yu; Liu, Zheyuan; Guo, Jiandong; Qu, Shuanglin; Zhao, Ruihua; Wang, Zhi-Xiang^*

来源：Chemical communications, 2017, 53(89): 12148-12151.

DOI：10.1039/c7cc06795j

• METHANOL DEHYDROGENATION
• HYDROGEN-PRODUCTION
• RUTHENIUM
• ALCOHOLS
• ESTERS
• WATER
• ETHANOL
• SYSTEM
• LIGAND
• ACID

We herein report a new H-2 activation mechanism to elucidate the N-formylation of amines with CO2 and H-2, catalyzed by Ru(II) pincer complexes in the absence of exogenous additives. Furthermore, we show that the mechanism could be applied to other types of Ru(II) pincer complexes and computed iron analogs.

• 出版日期2017-11-18
• 单位中国科学院大学