Cleavage of Carbon Monoxide Promoted by a Dinuclear Tantalum Tetrahydride Complex
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https://figshare.com/articles/dataset/Cleavage_of_Carbon_Monoxide_Promoted_by_a_Dinuclear_Tantalum_Tetrahydride_Complex/2457544
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资源简介：
The reaction of one equivalent of carbon monoxide with
the dinuclear
tetrahydride complex ([NPN]Ta)2(μ-H)4 (where
NPN = PhP(CH2SiMe2NPh)2) results
in the cleavage of the CO triple bond and formation of ([NPN]Ta)(μ-O)(μ-H)(Ta[NPN′])
(where NPN′ = PhP(CH2SiMe2NPh)(CH2SiMe2NC6H4)) via extrusion
of CH4. The identity of the ditantalum complex was confirmed
by single-crystal X-ray analysis, isotopic labeling studies, and GC-MS
analysis of the methane released. DFT calculations were performed
to provide information on the initial adduct formed and likely transition
states for the process.
创建时间：
2016-02-20
