[Zn(pddb)(H2O)]n | 1521181-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Zn(pddb)(H2O)]n
• 英文别名: [Zn(pddb)(H₂O)]_n
• CAS: 1521181-78-1
• 化学式: C₁₉H₁₁NO₄*H₂O*Zn
• 分子量: 400.706
• InChiKey: LOZKIHGLBZIZBT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.32
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  124.65
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  zinc(II) nitrate hexahydrate 、 3,5-二(3-羧基苯基)吡啶 、 水 在 对硝基苯甲酸 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 72.0h， 以75%的产率得到[Zn(pddb)(H2O)]n
  参考文献：
  名称：

  Four ZnII/CdII coordination polymers based on 3,3′-(pyridine-3,5-diyl) dibenzoic acid: Syntheses, crystal structures and photoluminescence property

  摘要：

  Four new coordination polymers namely, [Zn(pddb)(H2O)](n) (1), [Zn(pddb)](n) (2), {[Cd-2(pddb)(2)]center dot H2O}(n) (3) and [Cd(pddb)(H2O)(2)](n) (4), have been solvothermally obtained. Among which, complexes 1 and 3 were prepared in presence of 4-nitrobenzoic acid, and complexes 2 and 4 not, respectively. Complex I shows a binodal 3,3-connected wavelike layer structure with the point symbol of (6(3))(2). However, 2 performs a binodal 3,6-connected 3D coordination framework with the point symbol of (4 center dot 6(2))center dot(4(2)center dot 6(8)center dot 8(5)). 3 exhibits a more complicated 3D periodic structure built on an infinite rod-shape secondary blocking units (SBUs), while 4 shows a double-chain structure, extended into 3D supramolecular framework through strong hydrogen bonding interactions. Furthermore, the study about photoluminescence properties of these four complexes and H(2)pddb ligand reveals that these diverse structures have significant influence on the photoluminescence signals. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.10.022