[Cd(3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole)I₂]₂ | 1428877-51-3

• 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: [Cd(3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole)I₂]₂
• 英文别名: cadmium(2+);2-(4,5-dipyridin-4-yl-1,2,4-triazol-3-yl)pyridine;tetraiodide
• CAS: 1428877-51-3
• 化学式: C₃₄H₂₄Cd₂I₄N₁₂
• 分子量: 1333.08
• InChiKey: UJOFYQZYVWUFOS-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -6.42
• 重原子数：
  52
• 可旋转键数：
  2
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole 、 cadmium(II) iodide 以 甲醇 、 水 为溶剂， 以46%的产率得到[Cd(3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole)I₂]₂
  参考文献：
  名称：

  Solvent-regulated assemblies of silver(I) and cadmium(II) supramolecular complexes with versatile tripyridyltriazole multidentate ligands

  摘要：

  This work presents two pairs of Ag(I) and Cd(II) supramolecular complexes assembled based on two versatile tripyridyltriazole ligands 3,5-bis(2-pyridyl)-4-(4-pyridyl)-1,2,4-triazole (L-242) and 3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole (L-244), respectively. All four complexes have been prepared under similar conditions and characterized by elemental analysis, IR, and powder X-ray diffraction techniques. Single-crystal X-ray diffraction indicates that these complexes display the infinite 1-D and 2-D arrays for {[Ag(L-242)(CF3COO)](CH3OH)}(n) (1) and {[Ag-2(L-242)(CF3COO)(2)](CH3CN)(0.75)(H2O)(0.25)}(n) (2) as well as discrete dinuclear and tetranuclear coordination patterns for [Cd(L-244)I-2](2) (3) and [Cd-2(L-244)(2)I-4(DMF)(2)](2)(DMF)(2) (4). In 1 and 3, extended supramolecular architectures are further constructed via aromatic stacking interactions. Structural difference for each pair of complexes can be properly assigned to the significant solvent effect on assembled reactions (CH3OH-H2O vs. CHCl3-CH3CN for 1 and 2 as well as CH3OH-H2O vs. H2O-DMF for 3 and 4). Thermal stability and fluorescence of these complexes have also been investigated. (c) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.10.014