[Cd(1,2,4-triazole(-1H))Cl] | 1252760-29-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Cd(1,2,4-triazole(-1H))Cl]
• CAS: 1252760-29-4
• 化学式: C₂H₂N₃*Cd*Cl
• 分子量: 215.921
• InChiKey: YEOFLUUGOCXYNO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.56
• 重原子数：
  7.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.88
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  [Cd(1,2,4-triazole(-1H))Cl]*H2O 以 neat (no solvent) 为溶剂， 生成 [Cd(1,2,4-triazole(-1H))Cl]
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Photoluminescent Properties of Ternary Cd(II)/Triazolate/Chloride System

  摘要：

  Solvothermal reactions of cadmium chloride and 1,2,4-triazole (Htrz) in different solvent mediums have successfully synthesized five ternary Cd(II)/trz/Cl- complexes, [Cd(trz)Cl]center dot H2O (1 center dot H2O), [Cd-4(trz)(5)Cl-3(H2O)]center dot(THF)(1.25) (H2O)(2.5) (2 center dot 1.25THF center dot 2.5H(2)O), [Cd-3(trz)(2)Cl(MeCN)] (3), [Cd-3(trz)(4)Cl-2] center dot (H2O)(0.5) (4 center dot 0.5H(2)O), and [Cd-4(trz)(6)Cl-2-(H2O)0.5] center dot (H2O)(3.5) (5 center dot 3.5H(2)O). All of these five coordination polymers have three-dimensional (3-D) structural features, which are constructed by distinct substructures including clusters, chains, rings, and even 3-D frameworks. In all cases, 1,2,4-triazolate adopts a mu(1,2,4), bridging mode, and chloride ions display a,mu(2), mu(3), mu(4) bridging mode, respectively, which makes the structural diversity in the assembling system, for example, mu(4)-Cl and cadmium triazolate, build up an unprecedented tetranuclear cluster [Cd-4(trz)(8)Cl](-) in 2. All of the materials exhibit intense blue fluorescent emission and high thermal stability, wherein 1 presents an interesting guest-responsive photoluminescent property.

  DOI：

  10.1021/ic100610t