[(2-PhInd)2ZrClMe] | 934223-49-1

• 英文名称: [(2-PhInd)2ZrClMe]
• CAS: 934223-49-1
• 化学式: C₃₁H₂₅ClZr
• 分子量: 524.216
• InChiKey: KNGBYRGDMCAPOO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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[η5-(2-phenylindenyl)]zirconium dichloride 在 methylaluminoxane 作用下， 以 氘代甲苯 为溶剂， 生成 [(2-PhInd)2ZrClMe]
  参考文献：
  名称：

  ¹H and ¹³C NMR Studies of Cationic Intermediates Formed upon Activation of “Oscillating” Catalyst (2-PhInd)₂ZrCl₂ with MAO, MMAO, and AlMe₃/[CPh₃]⁺[B(C₆F₅)₄]^-

  摘要：

  The conformationally dynamic unbridged metallocene (2-PhInd)(2)ZrCl2 (1-Cl) was activated with methylaluminoxane (MAO), modified methylaluminoxane (MMAO), and AlMe3/[CPh3](+)[B(C6F5)(4)](-). The following ion pairs were characterized by H-1 and C-13 NMR: [(2-PhInd)(2)Zr(mu-Me)(2)AlMe2](+)[Me-MAO](-) (III), [(2-PhInd)(2)Zr(mu-Me)(2)AlMe2](+)[B(C6F5)(4)](-) (III'), [(2-PhInd)(2)Zr(mu-Me)(2)(AlMeBu)-Bu-i](+)[Me-MAO](-) (IIIMeiBu), [(2-PhInd)(2)Zr(mu-Me)(2)(AlBu2)-Bu-i](+)[Me-MAO](-) (IIiBuiBu), and [(2-PhInd)(2)ZrMe+center dot center dot center dot Me-MAO(-)] (IV). In the temperature range -50 to 20 degrees C, the rotation of indenyl ligands of complexes III, II', and III/(MeiBu) is faster than the evaluated rate of propylene insertion, whereas for IIIiBuiBu the rate of indenyl ligand rotation is comparable to or slower than the rate of propylene insertion. The ion pair BOIIIBOiBuiBu demonstrates the fundamental possibility of the existence of intermediates with the "locked" conformation of 2-PhInd ligands in 1-Cl/MAO or 1-Cl/MMAO systems. For the catalytic system 1-Cl/MAO, both outer sphere ion pair III and inner sphere ion pair IV are present in the reaction solution at high [Al](MAO)/[Zr] ratios. For the catalytic system 1-Cl/MAO, the concentration of inner sphere ion pairs of type IV is much smaller (below the NMR detection limit), and only outer sphere ion pairs IIMeiBu and IIIiBuiBu are observed.

  DOI：

  10.1021/om0610694