(CpMe5)HfCl2(O-2,6-(t-Bu)2C6H3) | 1203588-35-5

• 英文名称: (CpMe5)HfCl2(O-2,6-(t-Bu)2C6H3)
• CAS: 1203588-35-5
• 化学式: C₂₄H₃₆Cl₂HfO
• 分子量: 589.945
• InChiKey: YYFFVLUVTKCJHN-UHFFFAOYSA-K

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：

  五甲基环戊二烯基三氯化铪(IV) 、 lithium 2,6-di-tert-butylphenolate 以 乙醚 为溶剂， 以27%的产率得到(CpMe5)HfCl2(O-2,6-(t-Bu)2C6H3)
  参考文献：
  名称：

  Ethylene polymerization and ethylene/1-octene copolymerization using group 4 half-metallocenes containing aryloxo ligands, CpMCl2(OAr) [M=Ti, Zr, Hf; Ar=O-2,6-R2C6H3, R=tBu, Ph]—MAO catalyst systems

  摘要：

  Effect of the centered metal toward the catalytic activity as well as comonomer incorporation has been explored in ethylene (co)polymerization using a series of Cp*MCl2(O-2,6-R2C6H3) [M = Ti (1), Zr (2), Hf (3); R Ph (a), Bu-t (b), Pr-i (C)] in the presence of methylaluminoxane (MAO) cocatalyst. Complexes 2a, 3a,b were prepared and identified, and the Structures for 2-3a,b were determined by X-ray crystallography as a distorted tetrahedral geometry around the metal center. The catalytic activity in ethylene polymerization was affected by the centered metal employed [Ti > Zr > Hf]; the complexes containing 2,6-diphenylphenoxy ligand (1-3a) showed higher catalytic activities than the complexes containing 2,6-di-tert-butylphenoxy analogues (1-3b). The molecular weights in the resultant polymers prepared by the Zr and the Hf analogues were lower than those prepared by the Ti-Ph (1a) and the Ti-Pr-i (1c) analogues. Although the copolymerizations of ethylene with 1-octene afforded the copolymers With uniform molecular weight distributions (except 1b), both the catalytic activities and the 1-octene incorporation were highly affected by the centered metal employed: the Ti-Pr-i analogue(1c) seems to be the most suited in terms of both the catalytic activity and the 1-octene incorporation. The attempted copolymerization of ethylene with 2-methyl-1-pentene using 2a,b and 3a-MAO catalysts afforded linear polyethylene. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2009.01.001