[(μ3-CO3)(Ni2(2-((3-methylamino-propylimino)-methyl)-phenolate)2(NCS)2)Ni(2-((3-methylamino-propylimino)-methyl)-phenolate(+2H))2]*Et2O*H2O | 1050648-23-1

• 英文名称: [(μ3-CO3)(Ni2(2-((3-methylamino-propylimino)-methyl)-phenolate)2(NCS)2)Ni(2-((3-methylamino-propylimino)-methyl)-phenolate(+2H))2]*Et2O*H2O
• CAS: 1050648-23-1
• 化学式: C₄H₁₀O*C₄₇H₆₂N₁₀Ni₃O₇S₂*H₂O
• 分子量: 1211.41
• InChiKey: HDFFNSBYPXABAZ-SUANFBSLSA-J

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：

  乙醚 、 nickel thiocyanate hydrate 、 [Ni(2-((3-methylamino-propylimino)-methyl)-phenolate)2] 在 air 作用下， 以 甲醇 为溶剂， 以40%的产率得到[(μ3-CO3)(Ni2(2-((3-methylamino-propylimino)-methyl)-phenolate)2(NCS)2)Ni(2-((3-methylamino-propylimino)-methyl)-phenolate(+2H))2]*Et2O*H2O
  参考文献：
  名称：

  Coordination-Driven Self-Assembly of a Novel Carbonato-Bridged Heteromolecular Neutral Nickel(II) Triangle by Atmospheric CO₂ Fixation

  摘要：

  Formation of a quasi-symmetrical mu(3)-carbonato-bridged self-assembled heteromolecular triangle of Ni(II), [(mu(3)-CO3){Ni-2(salmeNH)(2)(NCS)(2)}[Ni(salmeNH(2))(2)]center dot Et2O center dot H2O (HsalmeNH = 2-[(3-methylamino-propylimino)-methyl]-phenol) involves atmospheric CO2 uptake in a neutral medium, by spontaneous self-reorganization of the starting mononuclear Ni(II)-Schiff-base complex, [Ni(salmeNH)(2)]. The environment around Ni(II) in two of the subunits is different from the third one. The starting complex, (Ni(salmeNH)(2)], and one of the possible intermediate species, [Ni(salmeNH(2))(2)(NCS)(2)], which has a very similar coordination environment to that in the third Ni(II) center, have been characterized structurally. A plausible mechanism for the formation of such a triangle has also been proposed. The compound shows a very strong antiferromagnetic coupling. Fit as a regular triangular arrangement gave J = -53.1, g = 2.24, and R = 1.5 x 10(-4).

  DOI：

  10.1021/ic800786s