[Ni(2-C6H4(N(C6H3(i)Pr2-2,6)(CH=NC6H3(i)Pr2-2,6))Br] | 823196-40-3

• 英文名称: [Ni(2-C6H4(N(C6H3(i)Pr2-2,6)(CH=NC6H3(i)Pr2-2,6))Br]
• CAS: 823196-40-3
• 化学式: C₃₁H₃₉BrN₂Ni
• 分子量: 578.258
• InChiKey: QYUWXZLTJGLVFH-PBFIREBQSA-M

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：

  [Ni(2-C6H4(N(C6H3(i)Pr2-2,6)(CH=NC6H3(i)Pr2-2,6))Br]2 以 氘代甲苯 为溶剂， 生成 [Ni(2-C6H4(N(C6H3(i)Pr2-2,6)(CH=NC6H3(i)Pr2-2,6))Br]
  参考文献：
  名称：

  Synthesis, Molecular Structure, and Solution-Dependent Behavior of Nickel Complexes Chelating Anilido−Imine Donors and Their Catalytic Activity toward Olefin Polymerization

  摘要：

  A series of novel nickel complexes (1-4) bearing anilido-imine ligands, [((ArN)-N-1=CHC6H4NAr2)NiBr](2) (Ar-1 = Ar-2 = 2,6-dimethylphenyl, 1; Ar-1 = 2,6-dimethylphenyl, Ar-2 = 2,6-diisopropylphenyl, 2; Ar-1 = Ar-2 = 2,6-diisopropylphenyl, 3; Ar-1 = 2,6-diisopropylphenyl, Ar-2 = 2,6-dimethylphenyl, 4), have been synthesized and characterized. The solid-state structures of the complexes 1, 2, and 4 were confirmed by X-ray single-crystal analyses to be in the form of a dinuclear and bromine-bridged structure. However, there is an equilibrium that shifts between the monomer and dimer in solution, which has been monitored using H-1 NMR and UV-vis spectrophotometry. The themodynamic parameters for the equilibriums were calculated to be DeltaH = +13.68 kJ/mol and DeltaS = 40.32 J/(mol K) for 1 and DeltaH = +8.35 kJ/mol and DeltaS = 15.21 J/(mol K) for 3. All nickel complexes show low activities for ethylene oligomerization with MAO as cocatalyst but high catalytic activities for norbornene polymerization in the presence of MAO.

  DOI：

  10.1021/om049367t