Cleavage of Carbon Monoxide Promoted by a Dinuclear Tantalum Tetrahydride Complex
2012-12-24T00:00:00Z (GMT) by
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.