(η5-cyclopentadienyl)2Zr(.mu-CCC6H11)(μ-CC6H11CMe)-AlMe2 | 136408-18-9

• 英文名称: (η5-cyclopentadienyl)2Zr(.mu-CCC6H11)(μ-CC6H11CMe)-AlMe2
• CAS: 136408-18-9
• 化学式: C₂₉H₄₁AlZr
• 分子量: 507.85
• InChiKey: DKHBTLBOWLILMT-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

• 作为产物：
  描述：

  bis(cyclopentadienyl)dimethylzirconium(IV) 、 {Me2AlCC(cyclo-C6H11)}2 以 甲苯 为溶剂， 以52%的产率得到(η5-cyclopentadienyl)2Zr(.mu-CCC6H11)(μ-CC6H11CMe)-AlMe2
  参考文献：
  名称：

  Novel synthetic route to hydrocarbyl-bridged dinuclear zirconium/aluminum complexes exhibiting a planar tetracoordinate carbon center

  摘要：

  Several examples are described where dimethylzirconocene is reacted with 1 molar equiv of dimeric alkynyldimethylaluminum reagents to give the doubly hydrocarbyl-bridged Cp2Zr(mu-C = CR)(mu-CR = CMe)-AlMe2 complexes 8 exhibiting a planar tetracoordinate carbon atom within the central metallacyclic ring system. The molecular structure of an example (8a, R = Ph) was determined by X-ray diffraction methods. Complex 8a crystallizes in the triclinic space group P1BAR with cell parameters a = 9.760 (1) angstrom, b = 16.453 (2) angstrom, c = 17.076 (2) angstrom, alpha = 67.53 (1)-degrees, beta = 84.40 (1)-degrees, gamma = 81.22 (1)-degrees, Z = 4, R = 0.035, and R(W) = 0.042. The planar tetracoordinate carbon center (C3) exhibits four strong bonding interactions to neighboring atoms, namely two metal centers (Zr, Al) and two carbon atoms, all located in the same plane [bond distances (angstrom), C3-C1 = 1.324 (4), C3-C4 = 1.508 (5), C3-Al = 2.103 (3), C3-Zr = 2.47(1); bond angles (deg), C1,C3,C4 = 118.9 (2), C4,C3,Al = 96.8 (3), Al,C3,Zr = 83.2 (3), C1,C3,Zr = 61.0 (6) (all values averaged over the two observed independent molecules)].

  DOI：

  10.1021/om00057a001

文献信息

• Erker, Gerhard; Albrecht, Markus; Krüger, Carl, Organometallics, 1993, vol. 12, # 12, p. 4979 - 4986
  作者：Erker, Gerhard、Albrecht, Markus、Krüger, Carl、Nolte, Matthias、Werner, Stefan

  DOI：——

  日期：——