[zinc(II)(2,2'-bithiophene-5,5'-dicarboxylate)(2,2'-bipyridine)] | 1361320-73-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: [zinc(II)(2,2'-bithiophene-5,5'-dicarboxylate)(2,2'-bipyridine)]
• CAS: 1361320-73-1
• 化学式: C₁₀H₄O₄S₂*C₁₀H₈N₂*Zn
• 分子量: 473.848
• InChiKey: BKCYKWITZOPKPL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 2,2-联噻吩-5,5-二羧酸 、 zinc(II) nitrate hexahydrate 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以55%的产率得到[zinc(II)(2,2'-bithiophene-5,5'-dicarboxylate)(2,2'-bipyridine)]
  参考文献：
  名称：

  Zinc and cadmium coordination polymers assembled with 2,2′-bipyridine and bithiophenedicarboxylic acid: Effect of metal ions on the conformation of ligand

  摘要：

  Two novel metal-organic coordination polymers with the formulas [Zn(btdc)(2,2'-bpy)](n) (1) and {[Cd-2(btdc)(2)(2,2'-bpy)]center dot DMF}(n) (2) have been solvothermally synthesized by the assembly of mixed ligands, H(2)btdc and 2,2'-bpy with Zn(NO3)(2)center dot 6H(2)O and Cd(NO3)(2)center dot 4H(2)O, respectively, where H(2)btdc = 2,2'-bithiophene-5,5'-dicarboxylic acid, 2,2'-bpy = 2,2'-bipyridine, and DMF = N,N'-dimethylformamide. Complex 1 is composed with one-dimensional (1D) infinite zigzag polymeric coordination chains, which are further stacked into 3D supramolecular architecture by pi-pi stacking interaction. Complex 2 possesses 2D layers with the thickness about 1.2 nm, these layers forming a 3D network through pi-pi stacking interactions. In complex 1, the btdc ligand exists in stable trans conformation and the conformation of btdc ligand in complex 2 is of both trans and cis. Furthermore, these two complexes show enhanced fluorescent emission in comparison with H(2)btdc ligand. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.11.004