meso-CH2(3,3'-ethyl-bis(indenyl))zirconium dichloride | 637330-98-4

• 英文名称: meso-CH2(3,3'-ethyl-bis(indenyl))zirconium dichloride
• CAS: 637330-98-4
• 化学式: C₂₃H₂₂Cl₂Zr
• 分子量: 460.558
• InChiKey: WBGBOVZSBHHGIU-UHFFFAOYSA-L

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：

  bis[3-ethyl-3-(trimethylstannyl)indenyl]methane 、 氯化锆(IV) 以 甲苯 为溶剂， 以45%的产率得到meso-CH2(3,3'-ethyl-bis(indenyl))zirconium dichloride
  参考文献：
  名称：

  Tailoring the Metallocene Structure To Obtain LLDPE by Ethene Homopolymerization: An Experimental and Theoretical Study

  摘要：

  The mechanism of formation of branched polyethylene in the polymerization promoted by meso-metallocene/MAO systems has been investigated by combining DFT calculations and experimental results on differently featured meso-zirconocenes. A possible explanation for the required meso structure in the formation of branches considers a competition of ethene insertion and beta-hydrogen transfer to the monomer. General mechanistic considerations in order to design catalytic systems able to synthesize LLDPE by ethene homopolymerization have been outlined.

  DOI：

  10.1021/om7006562