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

Abstract

We herein report a new H2 activation mechanism which unveils the secret of the N-formylation of amine with CO2 and H2, catalyzed by the Ru(II) pincer complexes in the absence of exogenous additive. Furthermore, we deomnstrate that the mechanism could be applied to other types of Ru(II) pincer complexes and our computed iron analogs.

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Publication details

The article was received on 30 Aug 2017, accepted on 05 Oct 2017 and first published on 05 Oct 2017


Article type: Communication
DOI: 10.1039/C7CC06795J
Citation: Chem. Commun., 2017, Accepted Manuscript
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    DFT study unveils the secret of how H2 is activated in the N-formylation of amine with CO2 and H2 catalyzed by the Ru(II) pincer complexes in the absence of exogenous additive

    Y. Lu, Z. Liu, J. Guo, R. Zhao, S. Qu and Z. Wang, Chem. Commun., 2017, Accepted Manuscript , DOI: 10.1039/C7CC06795J

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