[μ-(Me2SiCH2CH2SiMe2)-(C5H4)2][CpZrCl2]2 | 179400-10-3

• 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: [μ-(Me2SiCH2CH2SiMe2)-(C5H4)2][CpZrCl2]2
• 英文别名: (η-C5H5)ZrCl2(μ-η-C5H4(SiMe2CH2CH2SiMe2)-η-C5H4)ZrCl2(η-C5H5)；cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl-[2-[cyclopenta-2,4-dien-1-yl(dimethyl)silyl]ethyl]-dimethylsilane;dichlorozirconium(2+)
• CAS: 179400-10-3
• 化学式: C₂₆H₃₄Cl₄Si₂Zr₂
• 分子量: 726.987
• InChiKey: XLUKMWHYCFIZLX-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  9.22
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 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：

  (η5-cyclopentadienyl)trichlorozirconium dimethoxyethane 、 1,4-dicyclopentadienyl-1,1,4,4-tetramethyl-1,4-disilabutylene, dilithium salt 以 甲苯 为溶剂， 以46.7%的产率得到[μ-(Me2SiCH2CH2SiMe2)-(C5H4)2][CpZrCl2]2
  参考文献：
  名称：

  Synthesis and catalytic properties of ansa-binuclear metallocenes of the Group IV transition metals

  摘要：

  The new ansa-bridged mono- and bi-nuclear Group IV metallocenes, {Zr[X(eta-C5H4)(2)](eta-C5H5)Cl} (where, X = SiMe(2) (1), CMe(2)CMe(2) (2)), {[(eta-C5H5)HfCl2][mu-eta-C5H4-(SiMe(2))-eta-C5H4][(eta-C5H5)HfCl2]} (3). {[(eta-C5H5)ZrCl2][mu-eta-C5H4(SiMe(2)CH(2)CH(2)SiMe(2))-eta-C5H4][(eta-C5H5)ZrCl2]} (4), {[(eta-C5H5)ZrCl2][mu-eta-C5H4-(SiMe(2))-eta-C9H6][(eta-C5H5)ZrCl2]} (5), {[(eta-C5H5)ZrCl2][mu-eta-C9H6-(SiMe(2))-eta-C9H6][(eta-C5H5)ZrCl2]} (6), {[(eta-C5H5)ZrCl2][mu-eta-C5H4-(SiMe(2))-eta-C5H4][(eta-C5H5)MCl(2)]}, M = Hf (7) or Ti (8), {[(eta-C5H5)ZrCl2][mu-eta-C5H4-(SiMe(2))-eta-C5H4][(eta-C(5)Me(5))TiCl2]} (9) and {[(eta-C5H5)ZrCl2][mu-eta-C5H4(SiMe(2))-eta-C5H4][TiCl3]} (10) an described. These compounds in the presence of methylaluminoxane are catalysts for the polymerisation of ethene and propene.

  DOI：

  10.1016/0022-328x(96)06198-0

文献信息

• Catalytic dehydrocoupling of PhSiH3 with bimetallic Ti and Zr complexes
  作者：Jean L. Huhmann、Joyce Y. Corey、Nigam P. Rath

  DOI：10.1016/s0022-328x(96)06825-8

  日期：1997.4

  Bimetallic titanium and zirconium complexes with bridges (X) between Cp ligands were compared to Cp2MCl2 as catalysts in the presence of (BuLi)-Bu-n for the dehydrocoupling of PhSiH3 to polyphenylsilane. The monobridged bimetallic complexes developed were of the composition [mu-X(C5H4)(2)][CpMCl2](2) with X = Me2Si (M = Ti, Zr), Me2SiCH2SiMe2 (M = Ti) and Me2SiCH2CH2SiMe2 (M = Ti, Zr). The dibridged bimetallic complexes examined were of the type [mu,mu-(Me2Si)(2)(C5H3)(2)][Cp'TiCl2](2) (Cp' = Cp trans isomer, Cp' = Cp*, Irans and cis isomers). There was not a significant difference in the molecular weight of the polysilane produced from Cp2TiCl2 and the bimetallic titanium complexes after 48 h of reaction. However, the polysilane which was generated from the bimetallic complex [mu-(Me2Si)(C5H4)(2)][CpZrCl2](2) was approximately twice the molecular weight compared to that obtained from Cp2ZrCl2. The structure of the bimetallic complex [mu-(Me2SiCH2CH2SiMe2)(C5H4)(3)][CpZrCl2](2) was determined by X-ray diffraction (monoclinic, P2(1)/n, a = 8.7297(3)Angstrom, b = 6.7890(2) Angstrom, c = 24.9343(7) Angstrom, beta = 93.7850(10)degrees, Z = 2).