[Cu(4,4′-(oxybis(4,1-phenylene))dipyridine)(1,3-bdc)]_n | 1613694-08-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cu(4,4′-(oxybis(4,1-phenylene))dipyridine)(1,3-bdc)]_n
• 英文别名: [Cu(OPY)(1,3-bdc)]_n
• CAS: 1613694-08-8
• 化学式: C₈H₄O₄*C₂₂H₁₆N₂O*Cu
• 分子量: 552.045
• InChiKey: SZEUHQNFPMTYJA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115.27
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  copper(II) nitrate trihydrate 、 间苯二甲酸 、 4,4'-(oxybis(4,1-phenylene))dipyridine 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以50%的产率得到[Cu(4,4′-(oxybis(4,1-phenylene))dipyridine)(1,3-bdc)]_n
  参考文献：
  名称：

  A homochiral Cu(II) coordination polymer built from helical motif based on two V-shaped ligands

  摘要：

  By using a V-shaped N-containing ligand and a V-shaped carboxylate ligand, we have successfully synthesized a 3D novel copper homochiral coordination polymer, namely [Cu(OPY)(1,3-bdc)](n) (complex 1), [1,3-H(2)bdc = isophthalic acid, OPY = 4,4'-(oxybis(4,1-phenylene))dipyridine]. The compound has been solvothermally synthesized and characterized by IR, elemental analysis, single crystal X-ray diffraction, XRD, UV-vis, and TG analysis. The complex 1 crystallizes in the chiral space group P6(5) and possesses an unprecedented uninodal 3D 7(5).8 topology. However, the complex was synthesized by achiral materials. The complex I displays a moderate SHG response and its SHG efficiency is about 03 times that of urea. In addition, the compound shows high thermal stability. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2014.04.020