[CdCl(dicyanamide)(2-aminomethylpyridine)]n | 1056230-40-0

• 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: [CdCl(dicyanamide)(2-aminomethylpyridine)]n
• 英文别名: [CdCl(dca)(ampy)]n
• CAS: 1056230-40-0
• 化学式: C₂N₃*C₆H₈N₂*Cd*Cl
• 分子量: 322.048
• InChiKey: ZSBKPANEBUSTOX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.14
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  100.59
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-氨甲基吡啶 、 sodium dicyanamide 、 cadmium(II) chloride 以 甲醇 、 水 为溶剂， 以78%的产率得到[CdCl(dicyanamide)(2-aminomethylpyridine)]n
  参考文献：
  名称：

  Cadmium–halide and mixed cadmium–halide–dicyanamide polymers mediated by ancillary 2-aminoalkyl-pyridine ligands: Synthesis, X-ray single crystal structures and luminescence property

  摘要：

  A series of mixed halide-dicyanamide and halide complexes of cadmium(II) mediated by 2-aminoalkyl-pyridine ligands [2-aminomethylpyridine (ampy) and 2-aminoethylpyridine (aepy)] have been synthesized. Five of them, [CdCl(dca)(aepy)](n) (1), [CdBr(dca)(ampy)](n) (2), [CdCl(dca)(ampy)](n) (3) (dca = dicyanamide); (Cdl(2)(aepy)](n) (4), and (Cdl(2)(ampy)](n) (S), (dca = dicyanamide) have been characterized by X-ray single crystal structure analysis. The structural determination shows that the compounds are 1 D coordination polymers, with the exception of 3 that gives origin to a 2D sheet-like network. The ampy and aepy ligands (also with the occurrence of dca anions in 1-3) reveal to be useful ancillary fragments for the construction of unprecedented Cd-halide polymeric species. The crystal packing shows that the dimensionality of all compounds is enlarged to 2D, and 3D in the case of complex 3, through pi-pi interactions occurring between the pyridine rings. All the species exhibit interesting luminescence property in solution as well in solid state which is originated from ligand-centered pi-pi transitions. The fluorescence band maxima and fluorescence efficiency (in methanol) are found to be dependent not only on the pyridine ligand but also on the type of halide, and the co-ligand. Solid state luminescent study implies that pi-pi interactions occurring between pyridine rings are also important in controlling the fluorescence intensity. Amongst the synthesized complexes reported, complex S exhibits the highest fluorescence efficiency in methanol. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.04.047