[Ni(H2O)(1,3-bi(4-pyridyl)propane)(5-bromoisophthalate(2-))]n | 1379609-53-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Ni(H2O)(1,3-bi(4-pyridyl)propane)(5-bromoisophthalate(2-))]n
• CAS: 1379609-53-6
• 化学式: C₈H₃BrO₄*C₁₃H₁₄N₂*H₂O*Ni
• 分子量: 517.986
• InChiKey: YUGMEVQVESJCDJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.0
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  137.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4,4'-(1,3-丙二基)双吡啶 、 5-溴基异萘酸 、 nickel(II) acetate tetrahydrate 在 KOH 作用下， 以 水 为溶剂， 生成 [Ni(H2O)(1,3-bi(4-pyridyl)propane)(5-bromoisophthalate(2-))]n
  参考文献：
  名称：

  Two New Metal-Organic Frameworks Based on 5-Bromoisophthalic Acid and 1,3-bi(4-pyridyl)propane: Hydrothermal Syntheses, Structures, and Magnetic Properties

  摘要：

  Two new complexes, [M((H2O)(bpp)(Brip)](n) (M = Co-II (1) and Ni-II (2), bpp = 1,3-bi(4-pyridyl)propane, H(2)Brip = 5-bromoisophthalic acid), have been synthesized through hydrothermal reaction. They were characterized by elemental analysis, IR spectra, thermal analysis, magnetic properties, and X-ray single-crystal diffraction. The two complexes belong to monoclinic system, C2/c space group. The adjacent Co-II or Ni-II ions are bridged by Brip to form an alternate 1D chain. Such 1D chains are further connected by bpp to generate a twofold interpenetrating diamondoid 3D network. Variable-temperature magnetic susceptibility measurements indicate the occurrence of weak ferromagnetic interactions between the Co-II (1) and Ni-II (2) ions, respectively.

  DOI：

  10.1080/15533174.2011.613890