二甲基硅烷基(环戊二烯)(9-芴基)二氯化锆 | 161994-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 二甲基硅烷基(环戊二烯)(9-芴基)二氯化锆
• 英文名称: dimethylsilylene-(η(5)-cyclopentadienyl)(η(5)-fluorenyl)zirconium dichloride
• 英文别名: Me2Si(fluorenyl-cyclopentadienyl)ZrCl2；ansa-Me2Si(η5-cyclopentadienyl)(η5-9-fluorenyl)ZrCl2；Dimethylsilyl(cyclopentadienyl-9-fluorenyl)zirconium dichloride；cyclopenta-2,4-dien-1-yl-fluoren-9-id-9-yl-dimethylsilane;dichlorozirconium(2+)
• CAS: 161994-85-0
• 化学式: C₂₀H₁₈Cl₂SiZr
• 分子量: 448.578
• InChiKey: LWEGFCCKOSSOIL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.63
• 重原子数：
  24
• 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：

  (cyclopentadienyl)(9-fluorenyl)dimethylsilane, dilithium salt 、 氯化锆(IV) 以 二氯甲烷 为溶剂， 生成 二甲基硅烷基(环戊二烯)(9-芴基)二氯化锆
  参考文献：
  名称：

  Phosphorus-bridged metallocenes: New homogeneous catalysts for the polymerization of propene

  摘要：

  The synthesis of a new class of metallocenes for the syndiospecific, aspecific and isospecific polymerization of propene is reported. This has been achieved by the incorporation of a phosphorus linking the cyclopentadienyl-type rings. The catalyst precursors, syndiospecific PhP(fluorenyl-Cp)ZrCl2 (2), aspecific PhP(fluorenyl)(2)ZrCl2 (4), and isospecific PhP(indenyl)(2)ZrCl2 (5), RP(2-Me,4-Ph-indenyl)(2)ZrCl2 (R = Ph (6); R = Pr-i (7)) were prepared. Compound 2, after activation by methylaluminoxane (MAO), in LIPP at 67 degrees C affords syndiotactic polypropene (s-PP) with an activity of 155 kg s-PP/g Zr . h. The physical properties of the s-PP (stereoregularity and molecular weight) are similar to that of conventional carbon-bridged systems. Ab initio calculations on model compounds assisted in rationalizing the high syndiospecificity of 2 in contrast to the much poorer stereoreguIarity of closely related Me2Si(fluorenyl-Cp)ZrCl2. Aspecifrc merallocene 4, after activation with MAO, affords high molecular weight atactic-PP, albeit with a low activity. Metallocenes 6 and 7, activated by MAO, afford isotactic poiypropene (i-PP) with extremely high stereoregularity (> 98% mmmm pentads), melting points 156-160 degrees C and molecular weights tunable in the range 250,000-1,100,000. Activities of up to 580 kg i-PP/g Zr . h for 6/MAO (LIPP, 67 degrees C, 37 000 equiv. MAO) and 1265 kg i-PP/g Zr . h for 7/MAO (LIPP, 50 degrees C, 37 000 equiv. MAO) have been obtained. (C) 1998 EIsevier Science B.V.

  DOI：

  10.1016/s1381-1169(97)00178-7

文献信息

• The synthesis, characterization and polymerization behavior of ansa cyclopentadienyl fluorenyl complexes; the X-ray structures of the complexes [(C13H8)SiR2(C5H4)]ZrCl2 (RMe or Ph)
  作者：Konstantinos Patsidis、Helmut G Alt、Wolfgang Milius、Syriac J Palackal

  DOI：10.1016/0022-328x(95)05788-q

  日期：1996.2

  The preparation and characterization of the ansa metallocene complexes [(C13H8)ER(2)(C5H4)]ZrCl2, [(2,7-(t)Bu(2)C(13)H(5))-SiR(2)(C5H4)ZrCl2 and [(2,7-(t)Bu(2)C(13)H(6))SiR(2)(C13H8)]ZrCl2 (E=Si or Ge; R=Me or Ph) are reported. The crystal structures of [(C(13)H(8)SiR(2)(C5H4)]ZrCl2 (R=Me, or Ph) have been determined and are discussed. The complexes are compared in respect to the polymerization behavior of propylene.
• Silylene-bridged fluorenyl-containing ligands and zirconium complexes with C1 and Cs symmetry: general synthesis and olefin polymerization catalysis
  作者：You-Xian Chen、Marvin D. Rausch、James C.W. Chien

  DOI：10.1016/0022-328x(95)00118-a

  日期：1995.7

  A variety of new silylene-bridged fluorenyl-containing ligands has been synthesized with good yields via a convenient synthetic route. Two dimethylsilylene-bridged (eta(5)-indenyl)(eta(5)-fluorenyl) (1) and (eta(5)-cyclopentadienyl)(eta(5)-fluorenyl) (2) zirconocene dichlorides with C-1 and C, molecular symmetry have also been prepared. Upon activation with methyl aluminoxane, the former produced a polypropylene of high molecular weight, but with low activity and isotacticity. The latter catalyzed non-stereospecific propylene polymerization without any syndiotactic tendency, but with 40 and 20 times greater ethylene and propylene activity respectively than the former catalytic system.