[Hf((SiMe2)(η(5)-C5H4)2)Cl2] | 86050-33-1

• 英文名称: [Hf((SiMe2)(η(5)-C5H4)2)Cl2]
• CAS: 86050-33-1
• 化学式: C₁₂H₁₄Cl₂HfSi
• 分子量: 435.725
• InChiKey: JNKFDXRUVRPRKC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Hf((SiMe2)(η(5)-C5H4)2)Cl2] 、 neophyl lithium 以 乙醚 为溶剂， 以86%的产率得到[Hf((SiMe2)(η(5)-C5H4)2)(CH2CMe2Ph)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
• 作为产物：
  描述：

  氯化铪 、 dimethylsilanediylbis(cyclopentadienylmethyl) dilithium salt 以 甲苯 为溶剂， 以87%的产率得到[Hf((SiMe2)(η(5)-C5H4)2)Cl2]
  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

文献信息

• Koepf, Hartmut; Klouras, Nikolaos, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1983, vol. 38, # 3, p. 321 - 325
  作者：Koepf, Hartmut、Klouras, Nikolaos

  DOI：——

  日期：——
• Group 4ansa-Metallacyclohexaselenanes: Synthesis, characterization, and properties. Crystal structure of {Ti[Me2Si(?5-C5H4)2]Se5}
  作者：N. Tzavellas、N. Klouras、C. P. Raptopoulou

  DOI：10.1002/zaac.19976230161

  日期：——

  AbstractThe ansa‐metallacyclohexaselenanes M[Me2Si(η‐5 C5H4)2]Se5} [M = Ti (1), Zr (2), Hf (3] have been synthesized by treating the appropriate dichloridesM[Me2Si η5‐C5H4)2]Cl2} with a solution of Li2Se5 prepared in situ. Complexes 1–3 were characterized by elemental microanalysis and by IR, 1H and 13C NMR spectroscopies. The crystal structure of 1 has been determined by X‐ray crystallography. Crystals are triclinic, space group P1 with Z = 2 in a unit cell of dimensions a = 9.437(4) Å, b = 11.546(4) Å, c = 8.695 Å, α = 93.62(2)°, β = 96.29(2)°, γ = 113.520(12)°. The structure consists of discrete molecules of 1 with the TiSe5 ring in the chair conformation and it is very similar to that of its sulfur analogue Ti[Me2Si(η5 ‐C5H4)2]Se5}.
• Nifantev, Ilya E.; Ivchenko, Pavel V., Organometallics, 1997, vol. 16, p. 713 - 715
  作者：Nifantev, Ilya E.、Ivchenko, Pavel V.

  DOI：——

  日期：——