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Issue 8, 2010
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On the mechanism of carbonyl hydrogenation catalyzed by iron catalyst

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Abstract

Density functional theory calculations have been performed to investigate the detailed mechanism of the carbonyl hydrogenation catalyzed by the first well-defined bifunctional iron catalyst. The catalytic reaction proceeds by hydrogen transfer and dihydrogen activation. The hydrogen transfer reaction occurs via the bifunctional mechanism in which the two hydrogen atoms attached on the Fe and O of the catalyst are transferred to the oxygen and carbon atom of the carbonyl compound concertedly. Both the alcohol-mediated and nonalcohol-mediated dihydrogen activation processes are explored.

Graphical abstract: On the mechanism of carbonyl hydrogenation catalyzed by iron catalyst

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The article was received on 24 Sep 2009, accepted on 19 Nov 2009 and first published on 11 Jan 2010


Article type: Paper
DOI: 10.1039/B919779F
Dalton Trans., 2010,39, 1972-1978

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    On the mechanism of carbonyl hydrogenation catalyzed by iron catalyst

    H. Zhang, D. Chen, Y. Zhang, G. Zhang and J. Liu, Dalton Trans., 2010, 39, 1972
    DOI: 10.1039/B919779F

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