A DFT study unveils the secret of how H2 is activated in the: N -formylation of amines with CO2 and H2 catalyzed by Ru(II) pincer complexes in the absence of exogenous additives

Yu Lu; Zheyuan Liu; Jiandong Guo; Shuanglin Qu; Ruihua Zhao; Zhi Xiang Wang

doi:10.1039/c7cc06795j

A DFT study unveils the secret of how H₂ is activated in the: N -formylation of amines with CO₂ and H₂ catalyzed by Ru(II) pincer complexes in the absence of exogenous additives

Yu Lu, Zheyuan Liu, Jiandong Guo, Shuanglin Qu, Ruihua Zhao, Zhi Xiang Wang

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

We herein report a new H₂ activation mechanism to elucidate the N-formylation of amines with CO₂ and H₂, 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.

Original language	English (US)
Pages (from-to)	12148-12151
Number of pages	4
Journal	Chemical Communications
Volume	53
Issue number	89
DOIs	https://doi.org/10.1039/c7cc06795j
State	Published - 2017

Bibliographical note

Funding Information:
We acknowledge support from the National Science Foundation of China (Grant No. 21373216, 21573233, and 21773240).

Publisher Copyright:
© 2017 The Royal Society of Chemistry.

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abstract = "We herein report a new H2 activation mechanism to elucidate the N-formylation of amines with CO2 and H2, 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.",

author = "Yu Lu and Zheyuan Liu and Jiandong Guo and Shuanglin Qu and Ruihua Zhao and Wang, {Zhi Xiang}",

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