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

The photolysis of 4,4′-disubstituted, 2,2′-bipyridine fac -Re(bpy)(CO) 3 H derivatives produces stoichiometric H 2 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 s...

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Published inDalton transactions : an international journal of inorganic chemistry Vol. 48; no. 43; pp. 16148 - 16152
Main Authors Webster, Alyssa A, Huo, Jianqiang, Milliken, Jenna, Sullivan, Pat, Kubelka, Jan, Hoberg, John O
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 21.11.2019
Subjects
Gas formation
Hydrogen storage
Optimization
Photolysis
Rhenium
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Summary:The photolysis of 4,4′-disubstituted, 2,2′-bipyridine fac -Re(bpy)(CO) 3 H derivatives produces stoichiometric H 2 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 2 -H 2 ) state prior to dissociating H 2 gas. The photolysis of fac -Re(bpy)(CO) 3 H derivatives produce stoichiometric H 2 gas. Isotope labeling and computational studies indicate a mechanism involving a Re-H-Re bridging complex that leads to a dimeric Re-Re(η 2 -H 2 ) state prior to dissociating H 2 .
Bibliography:10.1039/C9DT03364E
In memory of Pat Sullivan.
Electronic supplementary information (ESI) available. See DOI
ObjectType-Article-1
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ISSN:1477-9226
1477-9234
DOI:10.1039/c9dt03364e