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

Author(s) Webster, A.A.; Huo, J.; Milliken, J.; Sullivan, P.; Kubelka, J.; Hoberg, J.O.
Journal Dalton Trans
Date Published 2019 Nov 21
Abstract

The photolysis of 4,4'-disubstituted, 2,2'-bipyridine fac-Re(bpy)(CO)H derivatives produces stoichiometric H 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(η-H) state prior to dissociating H gas.

DOI 10.1039/c9dt03364e
ISSN 1477-9234
Citation Webster AA, Huo J, Milliken J, Sullivan P, Kubelka J, Hoberg JO. Hydrogen gas formation from the photolysis of rhenium hydrides - mechanistic and computational studies. Dalton Trans. 2019;48(43):16148-16152.

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