Title : Catalytic dehydrogenation of ammonia borane at Ni monocarbene and dicarbene catalysts.

Pub. Date : 2009 Jun 15

PMID : 19456138






2 Functional Relationships(s)
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1 We use density functional theory to investigate the mechanism of the catalytic dehydrogenation of AB by Ni N-heterocyclic carbene (NHC) complexes, which we show proceeds through Ni monocarbene and dicarbene species. dicarbene high mobility group nucleosomal binding domain 4 Homo sapiens
2 Although Ni(NHC)(2) dehydrogenates AB, it competitively decomposes into a monocarbene species because AB readily displaces NHC from Ni(NHC)(2) and reaction of displaced NHC with abundant AB makes Ni monocarbene formation thermodynamically favored over the dicarbene catalyst. dicarbene high mobility group nucleosomal binding domain 4 Homo sapiens