diazido(N,N'-bis(2-pyridinylmethylene)propane-1,3-diamine)nickel(II) monohydrate | 382136-87-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: diazido(N,N'-bis(2-pyridinylmethylene)propane-1,3-diamine)nickel(II) monohydrate
• CAS: 382136-87-0
• 化学式: C₁₅H₁₆N₁₀Ni*H₂O
• 分子量: 413.064
• InChiKey: JRXZUIOSIDNEJT-FQOCCWIXSA-N

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：

  水 、 N,N'-bis(2-pyridinylmethylene) propanediamine 、 nickel(II) perchlorate hexahydrate 、 sodium azide 以 水 、 丙酮 为溶剂， 以59%的产率得到diazido(N,N'-bis(2-pyridinylmethylene)propane-1,3-diamine)nickel(II) monohydrate
  参考文献：
  名称：

  A Versatile Series of Nickel(II) Complexes Derived from Tetradentate Imine/Pyridyl Ligands and Various Pseudohalides: Azide and Cyanate Compared

  摘要：

  The chemical reactions of a family of tetradentate pyridyl/imine ligands, L1, L2, and L3 (L1 = [N,N'-bis(2-pyridinyImethylene)]ethane-1,2-diamine; L2 = [N,N'-bis(pyridin-2-yl)benzylidene]ethane-1,2-diamine; L3 = [N,N'-bis(2-pyridinylmethylene)]propane-1,3-diamine), with Ni-II in the presence of various pseudohalides (N3(-), SCN-, and NCO-) have served to prepare six different complexes, [Ni-2(L1)(2)(N-3)(2)](ClO4)(2)center dot H2O (1), [Ni-2(L2)(2)(N-3)(2)](ClO4)(2) (2), [Ni-2(L2)(2)(NCS)(4)] (3), [Ni-2(L2)(2)(NCO)(2)](ClO4)(2) (4), (Ni-2(L3)(2)(NCO)(2)](ClO4)(2) (5), and [Ni(L3)(N-3)(2)] (6), which have been characterized by X-ray crystallography. Interestingly, four of these complexes are dinuclear and exhibit end-on (EO) pseudohalide bridges (1, 2, 4, and 5), one is dinuclear and bridged exclusively by the tetradentate ligand (3), and one is mononuclear (6). The bulk magnetization of the complexes bridged by EO pseudohalides has been studied, revealing these ligands to mediate ferromagnetic coupling between the Ni-II ions, with modeled coupling constants, J, of +31.62 (1), +28.42 (2), +2.81 (4), and +1.72 (5) cm(-1) (where the convention H = -2JS(1)S(2) was used). The striking difference in the coupling intensity between N-3(-) and NCO- has prompted an investigation by means of density functional theory calculations, which has confirmed the experimental results and provided insight into the reasons for this observation.

  DOI：

  10.1021/ic701754u