[Cd(5-bromoisophthalate)(1,10-phenanthroline-5,6-dione)]n | 1056148-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [Cd(5-bromoisophthalate)(1,10-phenanthroline-5,6-dione)]n
• 英文别名: [Cd(BIPA)(pdon)]n
• CAS: 1056148-54-9；1055875-09-6
• 化学式: C₈H₃BrO₄*C₁₂H₆N₂O₂*Cd
• 分子量: 565.615
• InChiKey: XZISKRXMYLGPHF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  30.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  140.18
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  1,10-邻二氮杂菲-5,6-二酮 、 cadmium(II) nitrate tetrhydrate 、 5-溴基异萘酸 以 水 为溶剂， 以64%的产率得到[Cd(5-bromoisophthalate)(1,10-phenanthroline-5,6-dione)]n
  参考文献：
  名称：

  Controlled assembly of zero-, one- and two-dimensional metal-organic frameworks involving in situ ligand synthesis under different reaction pH

  摘要：

  Five cadmium(II) metal-organic frameworks, namely [Cd(BIPA)(daf)(H2O)(3)] center dot 2H(2)O (1), Cd-2(BDC)(2)(pdon)(2)(H2O)(2) (2), Cd(BIPA)(pdon) (3), Cd(BIPA)(daf) (4) and [Cd-2(BIPA)(2)(pdon)(2)] center dot H2O (5) (H(2)BIPA = 5-bromoisophthalic acid, H2BDC = terephthalic acid, pdon = 1,10-phenanthroline-5,6-dione, daf = 4,5-diaza-fluoren-9-one), have been constructed from cadmium(II) salts with multi-carboxylate ligands and pdon ligands under different reaction pH. The framework structures of these polymeric complexes have been determined by the X-ray single crystal diffraction technique. The differences of the five metal-organic frameworks demonstrate that the reaction pH has an important effect on the structure of these complexes. The thermal analyses of these five complexes have been measured and discussed. Additionally, four complexes show strong fluorescence in the solid state at room temperature. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.04.035