dichlorobis(3-hydroxyflavone)titanium(IV) | 1478218-46-0

• 英文名称: dichlorobis(3-hydroxyflavone)titanium(IV)
• CAS: 1478218-46-0
• 化学式: C₃₀H₁₈Cl₂O₆Ti
• 分子量: 593.255
• InChiKey: IKSFSORGLOXKLU-UHFFFAOYSA-J

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：

  3-羟基黄酮 、 四氯化钛 以 二氯甲烷 为溶剂， 反应 1.5h， 以70%的产率得到dichlorobis(3-hydroxyflavone)titanium(IV)
  参考文献：
  名称：

  Flavone complexes of Ti and Zr active in ethylene polymerization

  摘要：

  Two new complexes of Ti and Zr were synthesized with 3-hydroxyflavone bidentate ligand and investigated in homogeneous ethylene polymerization. Both complexes were characterized by UV-VIS, H-1 and C-13 NMR, and electrochemical studies. The geometries and energies of all possible isomeric species were studied by full unconstrained optimizations performed at Density Functional Theory (DFT) level. The polymerization reactions were performed at different experimental conditions with methylaluminoxane (MAO), as the cocatalyst. Both complexes were active in ethylene polymerization in all the conditions used. However, zirconium complex showed the best activity comparing to the titanium complex at 2500 Al/M ratio. The polymers obtained were high density polyethylene with ultra high molecular weights. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.apcata.2013.08.015