(η2-benzophenone)zirconocene dimer | 76374-50-0

• 英文名称: (η2-benzophenone)zirconocene dimer
• 英文别名: (Cp2Zr(η(2)-benzophenone))2
• CAS: 76374-50-0
• 化学式: C₄₆H₄₀O₂Zr₂
• 分子量: 807.27
• InChiKey: TVFNONPIFXNVRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  bis(η5-cyclopentadienyl)hafnium dihydride 、 (η2-benzophenone)zirconocene dimer 在 benzene 作用下， 以 苯 为溶剂， 以68%的产率得到
  参考文献：
  名称：

  Erker, Gerhard; Dorf, Ulrich; Czisch, Peter, Organometallics, 1986, vol. 5, # 4, p. 668 - 676

  摘要：

  DOI：
• 作为产物：
  描述：

  (benzoyl)bis(η-cyclopentadienyl)phenylzirconium(IV) 以 正庚烷 为溶剂， 以87%的产率得到(η2-benzophenone)zirconocene dimer
  参考文献：
  名称：

  Metallaoxirane-Supported Hydrido Group 4 Metallocene Cations

  摘要：

  The (eta(2)-diaryl ketone)zirconocene dimers 17a and 17b (aryl = phenyl or p-tolyl) react with the group 4 metallocene dihydride complexes [(Cp2MH2)-Cp-R] ((Cp2M)-Cp-R = Cp2Zr, (MeCp)(2)Zr, or Cp2Hf) to yield the dimetallic compounds [mu-eta(1)-O:eta(2)-C,O-Ar2CO)ZrCp2/(H2MCp2)-Cp-R] 18a-f. These systems contain a dimetallabicyclic framework in which the two metal centers are bridged by the eta(2)-diaryl ketone ligand oxygen atom and a mu-hydride ligand. The remaining hydride ligand is trans-oriented to the mu-H moiety at the (MCp2)-Cp-R unit. The complexes 18a-c were characterized by X-ray diffraction. Treatment of the complexes 18 with B(C6F5)(3) results in the selective abstraction of the terminal hydride ligand to form the dimetallic cation complexes [(mu-eta(1)-O:eta(2)-C,O-Ar2CO)ZrCp2(mu-H)(MCp2)-Cp-R](+) 19a-f (with HB(C6F5)(3)- anion). The complexes 19 contain the intact (eta(2)-diaryl ketone)ZrCp2 unit to which a (H-(MCp2)-Cp-R)(+) cation is formally attached. They exhibit a planar dimetallabicyclic framework, in which the two group 4 metal centers are connected by means of the eta(2)-ketone oxygen atom and the mu-hydride ligand, The complexes 19a,b and e were characterized by X-ray crystal structure analyses. The complexes 19 behave chemically as adducts of the highly reactive ((Cp2M)-Cp-R-H)(+) cations with a metallaoxirane matrix. Ethene is polymerized by the systems 19 with high catalyst activities.

  DOI：

  10.1021/om980905+

文献信息

• η2benzophenonzirconocen, ein modell für das reaktionsverhalten eines metallaoxirans?
  作者：Gerhard Erker、Frank Rosenfeldt

  DOI：10.1016/s0022-328x(00)82564-4

  日期：1982.1