The first thermally stable half-sandwich titanium zwitterionic complex

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• 作者：Jiř ; &#xed ; Pinkas ; Vojtech Varga ; Ivana C&#xed ; sař ; ov&#xe1 ; Jiř ; &#xed ; Kubiš ; ta ; Michal Hor&#xe1 ; č ; ek ; Karel Mach
• 关键词：Half-sandwich titanocenes ; Zwitterionic complex ; NMR spectra ; Crystal structure
• 刊名：Journal of Organometallic Chemistry
• 出版年：2007
• 出版时间：15 April 2007
• 年：2007
• 卷：692
• 期：10
• 页码：2064-2070
• 全文大小：340 K

文摘

Thermally stable zwitterionic complex [(η⁵-C₅Me₅)Ti(Ot-Bu)₂]^(δ+)[(μ-Me)B(C₆F₅)₃]^(δ−) (5) was formed by mixing equimolar quantities of [(η⁵-C₅Me₅)TiMe(Ot-Bu)₂] and [B(C₆F₅)₃]. The compound was recrystallized from hot toluene and has been stable so far for 1 year at ambient temperature in the solid state and in toluene solution. The ¹H, ¹⁹F and 1D NOESY NMR spectra in C₆D₆ solution proved the inner sphere ion pair structure of 5. The X-ray crystal structure of 5 revealed that the bridging methyl group is σ-bonded to boron, and all its C–H bonds fulfil criteria for agostic bonding interaction with the titanium atom. In contrast to the stable solution in C₆D₆ compound 5 decomposed in CD₂Cl₂ solvent within hours at room temperature.