Cleavage of Carbon Monoxide Promoted by a Dinuclear Tantalum Tetrahydride Complex

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• 作者：Joachim Ballmann ; Fraser Pick ; Ludovic Castro ; Michael D. Fryzuk ; Laurent Maron
• 刊名：Organometallics
• 出版年：2012
• 出版时间：December 24, 2012
• 年：2012
• 卷：31
• 期：24
• 页码：8516-8524
• 全文大小：548K
• 年卷期：v.31,no.24(December 24, 2012)
• ISSN：1520-6041

文摘

The reaction of one equivalent of carbon monoxide with the dinuclear tetrahydride complex ([NPN]Ta)₂(渭-H)₄ (where NPN = PhP(CH₂SiMe₂NPh)₂) results in the cleavage of the CO triple bond and formation of ([NPN]Ta)(渭-O)(渭-H)(Ta[NPN鈥瞉) (where NPN鈥?= 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.