[1-(η(5)-9-fluorenyl)-2-(η(5)-cyclopentadienyl)ethane]zirconium dichloride | 148799-53-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [1-(η(5)-9-fluorenyl)-2-(η(5)-cyclopentadienyl)ethane]zirconium dichloride
• 英文别名: [1,2-(cyclopentadienylfluorenyl)ethane]ZrCl2；9-(2-cyclopenta-2,4-dien-1-ylethyl)fluoren-9-ide;dichlorozirconium(2+)
• CAS: 148799-53-5
• 化学式: C₂₀H₁₆Cl₂Zr
• 分子量: 418.477
• InChiKey: ILBSQCBRSJOYTP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.59
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(9-fluorenyl)-2-cyclopentadienylethane 、 氯化锆(IV) 在 n-BuLi 作用下， 以 乙醚 、 正己烷 、 正戊烷 为溶剂， 以90%的产率得到[1-(η(5)-9-fluorenyl)-2-(η(5)-cyclopentadienyl)ethane]zirconium dichloride
  参考文献：
  名称：

  Ethylene-bridged pseudo-Cs symmetric ansa-zirconocene complexes: synthesis, structures and propylene polymerization behavior

  摘要：

  The ethylene-bridged pseudo-C-s symmetric ansa-zirconocene complexes, (1-fluorenyl-2-cyclopentadienylethane)zirconium dichloride (5b), were synthesized and their molecular structures have been determined by single crystal X-ray diffraction studies. The complex 5a is very active toward propylene polymerization in the presence of methylaluminoxane (MAO), affording polypropylene with good syndiotacticity. In comparison with the known syndiotactic polypropylene catalytic system iPr(fluorenyl)(cyclopentadienyl)ZrCl2/MAO 5a/MAO system is better in thermal stability, higher in activity and lower in syndiotacticity under the identical polymerization conditions. On the other hand, 5b/MAO system shows low activity and produces nearly atactic polypropylene with low molecular weight, which could be attributed to the increased electron density and steric bulkiness around the metal center. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00548-8