[Ni(N,N-dimethylethylenediamine)(μ-N3)2] | 278607-41-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物
• 英文名称: [Ni(N,N-dimethylethylenediamine)(μ-N3)2]
• 英文别名: N',N'-dimethylethane-1,2-diamine;nickel(2+);diazide
• CAS: 278607-41-3
• 化学式: C₄H₁₂N₈Ni
• 分子量: 230.883
• InChiKey: KBZRWWQRNBBVIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.24
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  sodium azide 、 nickel(II) nitrate hexahydrate 、 N,N-二甲基乙二胺 以 水 为溶剂， 生成 [Ni(N,N-dimethylethylenediamine)(μ-N3)2]
  参考文献：
  名称：

  Synthesis, Structure, and Magnetic Properties of Two New Ferromagnetic/Antiferromagnetic One-Dimensional Nickel(II) Complexes. Magnetostructural Correlations

  摘要：

  Two new one-dimensional nickel(II) complexes were synthesized and characterized: [Ni(N,N-dimethylethylene-diamine)(N-3)(2)] (1) and [Ni(2-aminoethylpyridine)(N-3)(2)] (2). The crystal structuresof 1 and 2 were solved. Complex 1 crystallizes in the monoclinic system, space group P2(1)/n with a = 10.569(2) Angstrom, b = 7.331(4) Angstrom, c = 12.9072-(8) Angstrom, beta = 111.324(10)degrees, and Z = 4. Complex 2 crystallizes in the monoclinic system, space group P2(1)/c with a 12.299(5) Angstrom, b = 14.307(2) Angstrom, c = 12.603(3), beta = 106.72(2)degrees, and Z = 4. The two complexes are similar and may be described as one-dimensional systems with double-azido-bridged ligands in end-to-end and end-on coordination alternatively. The end-on moiety is almost identical for 1 and 2, but the end-to-end moiety is different in each structure: for 1 this part is almost planar but for 2 is nonplanar. In both cases the Ni atoms are situated in similar distorted octahedral environments. The magnetic properties of the two compounds were studied by susceptibility measurements vs temperature. The chi(M) vs T plots for 1 and 2 show a global antiferromagnetic behavior with a maximum near room temperature for 1 and at very low temperature for 2 J(1) values for 1 and 2 were deduced from the spin Hamiltonian -Sigma(J(1)S(i)S(i+1) + J(2)S(i+1)S(i+2)) The computational method was based on the numerical solution for finite systems of increasing size. J values for 1 were (J1) = -187 cm(-1) and J(2) = +77 cm(-1) and for 2 J(1) = -28 cm(-1) and J(2) = +73 cm(-1). The positive values correspond to end-on azido ligands and the negative values to end-to-end azido ligands. Since the geometries of the [Ni(N-3)](2) moieties involving che end-on azido liands are almost the same in the two structures, the ferromagnetic coupling is nearly identical in the two compounds, while the significantly different antiferrornagnetic couplings reflect the Dear planarity of the endto-end Ni-2(N-3)(2) fragment in 1 and its twisted geometry in 2.

  DOI：

  10.1021/ic991366j