[Zr((SiMe2)(η(5)-C5H4)2)(CH3)]2(μ-O) | 252212-23-0

• 英文名称: [Zr((SiMe2)(η(5)-C5H4)2)(CH3)]2(μ-O)
• CAS: 252212-23-0
• 化学式: C₂₆H₃₄OSi₂Zr₂
• 分子量: 601.174
• InChiKey: KMXIBFKCCCDKFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  dimethylsilylenebiscyclopentadienylzirconium dichloride 、 水 、 甲基锂 以 乙醚 、 甲苯 为溶剂， 以42%的产率得到[Zr((SiMe2)(η(5)-C5H4)2)(CH3)]2(μ-O)
  参考文献：
  名称：

  Dicyclopentadienyl zirconium and hafnium complexes with the bridged (dimethylsilanodiyl)dicyclopentadienyl [(SiMe2)(η5-C5H4)2]2− ligand. X-ray molecular structure of [Zr{(SiMe2)(η5-C5H4)2}(CH2Ph)]2(μ-O)

  摘要：

  Reaction of the bridged (dimethylsilanediyl)dicyclopentadienyl dilithium salt [(SiMe2)(C5H4)(2)Li-2] with MCl4, in toluene, gave the zirconium and hafnium complexes [M{(SiMe2)(eta(5)-C5H4)(2)}Cl-2] [M = Zr (1), Hf (2)]. Addition: of two equivalents of M'R (M' = MgCl, R = CH3; M' = Li, R = CH2CMe2Ph; M' = MgBz, R = CH2Ph) to toluene or diethyl ether solutions of [M{(SiMe2)(eta(5)-C5H4)(2)}Cl-2] afforded the dialkyl derivatives [M{(SiMe2)(eta(5)-C5H4)(2)}R-2] [R = CH3, M = Zr (3), Hf (4); R = CH2CMe2Ph, M = Zr (5), Hf (6); R = CH2Ph, M = Zr (7)]. Compound 1 reacted with LiMe and Mg(CH2Ph)(2)(THF)(2) in the presence of a stoichiometric amount of water to give the mu-oxo derivatives [Zr{(SiMe2)(eta(5)-C5H4)(2)}R](2)(mu-O) [R = CH3 (8), CH2Ph (9)]. The X-ray molecular structure of [Zr{(SiMe2)(eta(5)-C5H4)(2)}(CH2Ph)](2)(mu-O) (9) has been determined by diffraction methods. Its most remarkable feature is the planarity of the Bz-Zr-O-Zr-Bz and the linearity of the Zr-O-Zr systems. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00362-9