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Hydrogen gas formation from the photolysis of rhenium hydrides – mechanistic and computational studies

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Abstract

The photolysis of 4,4′-disubstituted, 2,2′-bipyridine fac-Re(bpy)(CO)3H derivatives produces stoichiometric H2 gas. The rate of production varies greatly depending on the electronic nature of the disubstituted bipyridine (bpy) with halogenated substituents increasing the rate. Isotope labeling studies along with B3LYP geometry optimization DFT modeling studies indicate a mechanism involving a Re–H–Re bridging complex that leads to a dimeric Re–Re(η2-H2) state prior to dissociating H2 gas.

Graphical abstract: Hydrogen gas formation from the photolysis of rhenium hydrides – mechanistic and computational studies

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Publication details

The article was received on 17 Aug 2019, accepted on 07 Oct 2019 and first published on 08 Oct 2019


Article type: Communication
DOI: 10.1039/C9DT03364E
Dalton Trans., 2019, Advance Article

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    Hydrogen gas formation from the photolysis of rhenium hydrides – mechanistic and computational studies

    A. A. Webster, J. Huo, J. Milliken, P. Sullivan, J. Kubelka and J. O. Hoberg, Dalton Trans., 2019, Advance Article , DOI: 10.1039/C9DT03364E

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