Zn(phen)2(1,5-NDS)(H2O) | 1448009-02-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Zn(phen)2(1,5-NDS)(H2O)
• 英文别名: (aqua)bis(1,10-phenanthroline)(1,5-naphthalenedisulfonate)zinc(II)；Zn(phen)₂(1,5-NDS)(H₂O)
• CAS: 1448009-02-6
• 化学式: C₃₄H₂₄N₄O₇S₂Zn
• 分子量: 730.109
• InChiKey: WXANIDZETXPBJH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 1,5-naphthalenedisulfonate anion 、 zinc(II) acetate dihydrate 以 水 为溶剂， 反应 72.0h， 以59%的产率得到Zn(phen)2(1,5-NDS)(H2O)
  参考文献：
  名称：

  Syntheses, structures, and photoluminescence properties of Zn(II)/Cd(II) supramolecular architectures based on 1,5-naphthalenedisulfonate and 1,10-phenanthroline ligands

  摘要：

  Two new supramolecular transition metal compounds, [Zn(phen)(2)(1,5-NDS)(H2O)] and [Cd(phen)(2)(1,5-NDS)](n) (1,5-NDS = 1,5-naphthalenedisulfonate, phen = 1,10-phenanthroline), were obtained under hydrothermal/solvothermal conditions and structurally characterized by elemental analysis, IR, PXRD, TG-DSC, and single-crystal X-ray determination. They represent the first examples of Zn(II)/Cd(II) supramolecular compounds based on the 1,5-NDS/phen system. The Zn compound exhibits a 3D supramolecular structure via hydrogen bond (O-Ha <-O and C-Ha <-O) and pi-pi interactions. The Cd compound is a 3D supramolecular framework generated by 1D coordinated chains through a hydrogen bond (C-Ha <-O) and pi-pi interactions. In addition, photoluminescence properties for both have been discussed. [Zn(phen)(2)(1,5-NDS)(H2O)] shows an emission peak at 420 nm (lambda (ex) = 342 nm), and [Cd(phen)(2)(1,5-NDS)] (n) displays a strong emission peak at 388 nm with a shoulder peak at 369 nm (lambda (ex) = 332 nm)..

  DOI：

  10.1007/s00706-013-1037-0