(η5:η5-1,1-dicyclopentadienyl-1-silacyclopentane(2-))dimethyltitanium(IV) | 610782-19-9

• 英文名称: (η5:η5-1,1-dicyclopentadienyl-1-silacyclopentane(2-))dimethyltitanium(IV)
• 英文别名: (CH2)4SiCp2TiMe2
• CAS: 610782-19-9
• 化学式: C₁₆H₂₂SiTi
• 分子量: 290.316
• InChiKey: LQOKZLWTTWFZIZ-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：

  dichloro(η5:η5-1,1-dicyclopentadienyl-1-silacyclopentane(2-))titanium(IV) 、 甲基溴化镁 以 乙醚 为溶剂， 以65%的产率得到(η5:η5-1,1-dicyclopentadienyl-1-silacyclopentane(2-))dimethyltitanium(IV)
  参考文献：
  名称：

  Syntheses, Structural Characterizations, and Catalytic Behavior of ansa-Metallocene Complexes Derived from 1,1-Dicyclopentadienyl-1-silacycloalkanes

  摘要：

  1,1-Dicyclopentadienyl-1-silacycloalkanes (2) were prepared by condensation of cyclopentadiene with appropriate 1,1-dichloro-1-silacycloalkanes [(cycl)SiCl2 (1); cycl = CnH2n, n = 3, 4, 5]. Dilithium salts of 2 were subsequently transformed into the corresponding ansa-metallocene complexes [ {eta:(5eta5)-Cp-2-(cycl)Si}MCl2] (M = Ti (3), Zr (4), Hf (5)). The molecular structures of 3b, 3c, 4b, and 4c were determined by X-ray crystallography. As a result of the formation of the siladicyclopentadienyl ring, the metal atoms in 3-5 exhibit distorted tetrahedral configurations with the two chloride atoms. DFT calculations established that the size of the bridge ring influenced the catalytic activity. Thus, the catalytic activity of the ansa-titanocene complexes was remarkably enhanced by the silacycloalkyl bridge due to their increased conformational stability (14 x 10(3) kg PE mol(cat)(-1) h(-1) for 3c). In addition, polyethylenes with high molecular weight such as M-w = (1.3-2.6) x 10(6) (M-w/M-n = 1.6-2.0 by GPC) were obtained with 3.

  DOI：

  10.1021/om030287j