bis[(2,6-diisopropylphenyl)(trimethylsilyl)amido]hafnium difluoride | 178176-72-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: bis[(2,6-diisopropylphenyl)(trimethylsilyl)amido]hafnium difluoride
• CAS: 178176-72-2
• 化学式: C₃₀H₅₂F₂HfN₂Si₂
• 分子量: 713.414
• InChiKey: VSZRGSLVYYXQFQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.92
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  lithium (2,6-diisopropylphenyl)(trimethylsilyl)amide 以 乙醚 、 甲苯 为溶剂， 生成 bis[(2,6-diisopropylphenyl)(trimethylsilyl)amido]hafnium difluoride
  参考文献：
  名称：

  Group 4 Metal Amido Fluorides and Chlorides:  Molecular Structures and the First Comparison in Ethylene Polymerization Catalysis

  摘要：

  Lithium (2,6-diisopropylphenyl)(trimethylsilyl)amide (2,6-iPr(2)C(6)H(3)N(SiMe(3))Li) reacts with MCl(4) (M = Zr, Hf) in a 2:1 molar ratio to give [{2,6-iPr(2)C(6)H(3)N(SiMe(3))}(2)MCl(2)] (1a, M = Zr; 1b, M = Hf) and with (C(5)Me(5))MCl(3) (1:1) to give [(C(5)Me(5)){2,6-iPr(2)C(6)H(3)N(SiMe(3))}MCl(2)] (2a, M = Zr; 2b, M = Hf). Further reaction of the dichlorides (1a,b,2a,b) with Me(3)SnF leads to the corresponding difluorides [{2,6-iPr(2)C(6)H(3)N(SiMe(3))}(2)MF(2)] (3a, M = Zr; 3b, M = Hf) and [(C(5)Me(5)){2,6-iPr(2)C(6)H(3)N(SiMe(3))}MF(2)] (4a, M = Zr; 4b, M = Hf). The compounds 1-4 were investigated as potential catalysts for the polymerization of olefins, in combination with methylaluminoxane (MAO). For the first time the catalytic activities, toward the polymerization of ethylene, of chlorides and the corresponding fluorides are compared under identical conditions. The solid-state structures of 1a,b,2b,3a, and 4a were determined by single-crystal X-ray diffraction.

  DOI：

  10.1021/om960177v