[(C5H5)2Hf(μ-H)3(Al(i-Bu)2)2][B(C6F5)4] | 1265631-48-8

• 英文名称: [(C5H5)2Hf(μ-H)3(Al(i-Bu)2)2][B(C6F5)4]
• CAS: 1265631-48-8
• 化学式: C₂₄BF₂₀*C₂₆H₄₉Al₂Hf
• 分子量: 1273.17
• InChiKey: JFZXBWOBTHXGKA-UHFFFAOYSA-N

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：

  二氯二茂铪 、 二异丁基氢化铝 、 三苯碳四(五氟苯基)硼酸盐 以 氘代苯 为溶剂， 生成 [(C5H5)2Hf(μ-H)3(Al(i-Bu)2)2][B(C6F5)4]
  参考文献：
  名称：

  Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations

  摘要：

  The ansa-zirconocene complex rac-Me2Si(1-indenyl)(2)-ZrCl2 ((SBI)ZrCl2) reacts with diisobutylaluminum hydride and trityl tetrakis(perfluorophenyl)borate in hydrocarbon solutions to give the cation [(SBI)Zr(mu-H)(3)((AlBu2)-Bu-i)(2)](+), the identity of which is derived from NMR data and supported by a crystallographic structure determination. Analogous reactions proceed with many other zirconocene dichloride complexes. [(SBI)Zr(mu-H)(3)((AlBu2)-Bu-i)(2)](+) reacts reversibly with (ClAlBu2)-Bu-i to give the dichloro-bridged cation [(SBI)Zr(mu-Cl)(2)(AlBu2)-Bu-i](+). Reaction with AIMe(3) first leads to mixed-alkyl species [(SBI)Zr(mu-H)(3)(AIMe(x)(i)Bu(2-x))(2)](+) by exchange of alkyl groups between aluminum centers. At higher AlMe3/Zr ratios, [(SBI)Zr(mu-Me)(2)AlMe2](+), a constituent of methylalumoxane-activated catalyst systems, is formed in an equilibrium, in which the hydride cation [(SBI)Zr(mu-H)(3)(AIR(2))(2)](+) strongly predominates at comparable HAI(i)Bu(2) and AlMe3 concentrations, thus implicating the presence of this hydride cation in olefin polymerization catalyst systems.

  DOI：

  10.1021/ja1050428