| 1429441-57-5

• 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
• CAS: 1429441-57-5
• 化学式: C₁₆H₁₀N₃O₂*Cl*H₂O*Zn
• 分子量: 395.133
• InChiKey: TUCNUNUFNPMUOI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.25
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  110.3
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  zinc(II) chloride dihydrate 、 4'-carboxy-4,2':6',4''-terpyridine 、 水 在 邻苯二甲酸 、 sodium hydroxide 作用下， 反应 72.0h， 以52.7%的产率得到
  参考文献：
  名称：

  Three novel coordination polymers based on bifunctionalized ligand 4′-carboxy-4,2′:6′,4″-terpyridine

  摘要：

  Three novel coordination polymers [Zn(ctpy)(Cl)](n)center dot(H2O)(n) (1), [Zn-2(ctpy)(2)(tp)](n) (2) and [Cu-2(ctpy)(2)(tp)](n) (3), Hctpy =4'-carboxy-4,2':6',4 ''-tpyridine, H(2)tp = terephthalic acid, have been hydrothermally synthesized and characterized by elemental analysis, IR, single crystal X-ray diffraction. Compounds 1 and 3 show the utp and ins topologies with 2- and 3-fold interpenetrating structures, while compound 2 is a non-interpenetrating (4,4)-connected 2D layer with one-dimension channels along b axis and further assembles into a 3D supramolecular structure by pi center dot center dot center dot pi p stacking interactions. The structural diversity of compounds 1-2 may illustrate the marked effect of the pH of the reaction system. The diversity structures of the compounds 2 and 3 may illustrate the marked effect of metal ion. Furthermore thermal stabilities and photoluminescent properties were also studied. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.11.030