[(η3-allyl)(μ-2,4,6-tris(trifluoromethyl)phenoxide)nickel]2 | 154033-36-0

• 英文名称: [(η3-allyl)(μ-2,4,6-tris(trifluoromethyl)phenoxide)nickel]2
• CAS: 154033-36-0
• 化学式: C₂₄H₁₄F₁₈Ni₂O₂
• 分子量: 793.725
• InChiKey: FMWQKZBSXQEBTA-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：

  bi(allylnickel bromide) 、 Lithium-2,4,6-tris(trifluormethyl)phenoxid 以 乙醚 为溶剂， 以89%的产率得到[(η3-allyl)(μ-2,4,6-tris(trifluoromethyl)phenoxide)nickel]2
  参考文献：
  名称：

  Synthesis of Allylnickel Aryloxides and Arenethiolates: Study of Their Dynamic Isomerization and 1,3-Diene Polymerization Activity

  摘要：

  A new family of allylnickel(II) complexes, [Ni(eta3-allyl)(mu-X)]2 (X = ArO, ArS), have been synthesized by anion metathesis of the sodium or lithium salts of aryloxides or arenethiolates with[Ni(eta3-allyl)(mu-Br)]2. The complexes are proposed to be dimeric and to consist of a mixture of cis and trans isomers. A dynamic process rapidly equilibrates the cis and trans isomers of the pentafluorophenoxide, 2,6-difluorophenoxide, and 3,5-bis(trifluoromethyl)phenoxide complexes on the H-1 NMR time scale. The 2,6-dimethylphenoxide, 2,6-diisopropylphenoxide, 2,4,6-tris(trifluoromethyl)phenoxide, and pentafluorothiophenoxide complexes are static at room temperature. A variable-temperature NMR study of the 3,5-bis(trifluoromethyl)phenoxide complex provided activation enthalpy and entropy values of 12.9 kcal/mol and -6.6 cal/(K mol), respectively. Allyl rotation or cleavage of one of the mu-X bridges is proposed as the mechanism for the isomerization. The pentafluorophenoxide, 3,5-bis(trifluoromethyl)phenoxide, and 2,4,6-tris(trifluoromethyl)phenoxide complexes initiate the rapid polymerization of 1,3-cyclohexadiene and 1,3-butadiene to form high-molecular weight, 1,4-linked polymers.

  DOI：

  10.1021/om00017a073