[Hf((SiMe2)(η(5)-C5H4)2)(CH3)2] | 252212-20-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [Hf((SiMe2)(η(5)-C5H4)2)(CH3)2]
• 英文别名: carbanide;di(cyclopenta-2,4-dien-1-yl)-dimethylsilane;hafnium(4+)
• CAS: 252212-20-7
• 化学式: C₁₄H₂₀HfSi
• 分子量: 394.888
• InChiKey: OMGUQSLFMLBNEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [Hf((SiMe2)(η(5)-C5H4)2)Cl2] 、 甲基氯化镁 以 四氢呋喃 、 乙醚 为溶剂， 以94%的产率得到[Hf((SiMe2)(η(5)-C5H4)2)(CH3)2]
  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