| 212005-80-6

• 分子结构分类: 有机化合物 - 有机卤素化合物
• CAS: 212005-80-6
• 化学式: C₁₂H₂₄F₆N₄NiO₄
• 分子量: 461.027
• InChiKey: JPMKRWZYUYIIEF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  nickel(II) trifluoroacetate tetrahydrate 、 N-乙基乙二胺 以 乙腈 、 正丁醇 为溶剂， 以71%的产率得到
  参考文献：
  名称：

  Syntheses and characterization of diamine complexes of nickel (II) trifluoroacetate : thermochromism and X-ray single crystal structure analyses of [Ni (pren) 2 (CF3CO2) 2] and [Ni (ipren) 2 (CF3CO2) 2] (pren = N-propylethane-1,2-diamine and ipren = N-isopropylethane-1,2-diamine)

  摘要：

  The complexes, [NiL2(CF3CO2)(2)] [L = N-methylethane-1,2-diamine (meen), N-ethylethane-1,2-diamine (eten), N-propylethane-1,2-diamine (pren) and N-isopropylethane-1,2-diamine (ipren)] have been prepared and X-ray single crystal structures of [Ni(pren)(2)(CF3CO2)(2)] 3 and [Ni(pren)(2)(CF3CO2)(2)] 4 are determined. Both 3 and 4 have slightly distorted trans-octahedral geometry with N4O2-chromophore around nickel(II). The crystals are stabilized by H-bonds and this interaction is higher in 4 due to close proximity of methyl H-atoms of isopropyl group with oxygen atoms of trifluoroacetate groups. The complexes 3 and 4 exhibit blue to light-violet. irreversible discontinuous thermochromism. [Ni(meen)(2)(CF3CO2)(2)] 1 also shows thermochromism, blue-violet to blue bur reverts on keeping in humid atmosphere. On the other hand, [Ni(eten)(2)(CF3CO2)(2)] 2 undergoes decomposition without showing any phase transition. However, thermochromism here is considered to be due to a decreased in-plane ligand field strength resulting from the conformational changes in diamine chelate rings. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00359-8