Ni3(di(2-pyridyl)amido)4Cl2 * THF | 226947-88-2

• 英文名称: Ni3(di(2-pyridyl)amido)4Cl2 * THF
• CAS: 226947-88-2
• 化学式: C₄H₈O*C₄₀H₃₂Cl₂N₁₂Ni₃
• 分子量: 999.857
• InChiKey: MQGAWRRVYTWLCD-UHFFFAOYSA-L

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：

  2,2'-二吡啶胺 、 nickel dichloride 在 MeLi 作用下， 以 四氢呋喃 为溶剂， 生成 Ni3(di(2-pyridyl)amido)4Cl2 * THF
  参考文献：
  名称：

  Further Study of the Linear Trinickel(II) Complex of Dipyridylamide

  摘要：

  The title compound, Ni-3(dpa)(4)Cl-2 (dpa = di(2-pyridyl)amido anion), first reported 30 years ago, structurally characterized in 1991, has been obtained in two new crystal forms, Ni-3(dpa)(4)Cl-2. 2CH(2)Cl(2) (tetragonal, space group I (4) over bar, with a = 27.3046(7) Angstrom, c = 12.2452(2) Angstrom, Z = 8) and Ni-3(dpa)(4)Cl-2. THF (orthorhombic, space group Pccn, with a = 12.673(1) Angstrom, b = 14.138(3) Angstrom, c = 23.890(2) Angstrom, Z = 4). They have been examined structurally, and the magnetic properties of one of them determined from, 2 to 300 K. Also the proton NMR spectrum has been recorded. These data allow the following conclusions to be drawn: (1) the molecular structure is invariant in the three crystalline forms and has a symmetrical chain of nickel atoms, (2) the terminal metal atoms each have two unpaired electrons, while the central one is typical of diamagnetic square-planar Ni-II complexes, (3) the magnetic moments of the two terminal nickel(II) ions display antiferromagnetic coupling, with 2J = -108 cm(-1), and (4) the Ni-3 chain remains symmetrical in solution.

  DOI：

  10.1021/ic990006t