[HfCl(C4H3N(CH2NMe2)-2)3] | 786657-78-1

• 英文名称: [HfCl(C4H3N(CH2NMe2)-2)3]
• CAS: 786657-78-1
• 化学式: C₂₁H₃₃ClHfN₆
• 分子量: 583.476
• InChiKey: XLBJNKIRMAKYAZ-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：

  氯化铪 、 lithium (2-dimethylaminomethyl)pyrrolate 以 甲苯 为溶剂， 以65%的产率得到[HfCl(C4H3N(CH2NMe2)-2)3]
  参考文献：
  名称：

  Hafnium chloride and hafnium methyl complexes bearing substituted pyrrolyl ligands: synthesis, characterization, and ethylene polymerization

  摘要：

  Reactions of HfCl4 with 2 and 3 equiv. of Li[C4H3N(CH2NMe2)-2] in toluene afford HfCl2[C4H3N(CH2NMe2)-2](2) (1) and HfCl[C4H3N(CH2NMe2)-2](3) (2), respectively. Transmetallation reaction of I with 2 equiv. of MeLi results in a hafnium dimethyl compound HfMe2[C4H3N(CH2NMe2)-2](2) (3). A variable-temperature H-1 NMR spectroscopic study shows that the activation energy for the dissociation/association of the NMe2 units of compound 2 in solution is ca. 13.6 kcal/mol. Compounds 1-3 are characterized by NMR spectroscopy and single crystal X-ray diffraction. A polymerization study shows that compounds I and 3 exhibit moderate activity toward ethylene in the presence of TIBA and MAO. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.05.005