[Zn(2,2'-(naphthalene-1,5-diylbis(oxy))diacetate)(1,10-phenanthroline)(H2O)]n | 1352614-77-7

• 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: [Zn(2,2'-(naphthalene-1,5-diylbis(oxy))diacetate)(1,10-phenanthroline)(H2O)]n
• 英文别名: [Zn((C10H6)(OCH2COO)2)(phen)(H2O)]n
• CAS: 1352614-77-7
• 化学式: C₁₂H₈N₂*C₁₄H₁₀O₆*H₂O*Zn
• 分子量: 537.844
• InChiKey: BJPXLFRJNOEUNL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  156.0
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  [Zn(2,2'-(naphthalene-1,5-diylbis(oxy))diacetate)(1,10-phenanthroline)(H2O)]n 以 neat (no solvent) 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  Effect of metal ions on the structures of metal–organic frameworks based on mixed ligands

  摘要：

  Two metal-organic frameworks, namely, [Zn(L)(phen)(H2O)](n) (1) and [Cd(L)(phen)](n) (2), where H2L = 2,2'-(naphthalene-1,5-diylbis(oxy))diacetic acid and phen = 1,10-phenanthroline, have been synthesized under hydrothermal conditions and characterized by single crystal X-ray diffraction analyses, powder X-ray diffraction and thermogravimetric analysis. Compound 1 can be described as a 3D supramolecular architecture formed via the strong pi-pi interactions. While, compound 2, obtained by changing the metal ions, exhibits a 3D metal-organic frameworks of PtS topology with the square window (the dimensions is 11.454 x 25.847 angstrom). The different structures between 1 and 2 indicate that metal ions have significant effects on the final complexes. Moreover, compounds 1 and 2 show good luminescent properties in the solid state at room temperature. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.11.004
• 作为产物：
  描述：

  1,10-菲罗啉 、 2,2'-(naphthalene-1,5-diylbis(oxy))diacetic acid 、 水 、 zinc(II) acetate dihydrate 以 水 为溶剂， 以44.5%的产率得到[Zn(2,2'-(naphthalene-1,5-diylbis(oxy))diacetate)(1,10-phenanthroline)(H2O)]n
  参考文献：
  名称：

  Effect of metal ions on the structures of metal–organic frameworks based on mixed ligands

  摘要：

  Two metal-organic frameworks, namely, [Zn(L)(phen)(H2O)](n) (1) and [Cd(L)(phen)](n) (2), where H2L = 2,2'-(naphthalene-1,5-diylbis(oxy))diacetic acid and phen = 1,10-phenanthroline, have been synthesized under hydrothermal conditions and characterized by single crystal X-ray diffraction analyses, powder X-ray diffraction and thermogravimetric analysis. Compound 1 can be described as a 3D supramolecular architecture formed via the strong pi-pi interactions. While, compound 2, obtained by changing the metal ions, exhibits a 3D metal-organic frameworks of PtS topology with the square window (the dimensions is 11.454 x 25.847 angstrom). The different structures between 1 and 2 indicate that metal ions have significant effects on the final complexes. Moreover, compounds 1 and 2 show good luminescent properties in the solid state at room temperature. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.11.004