[Zn(2,2'-bibenzimidazole)(1,4-benzenedicarboxylato)](n) | 872605-27-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [Zn(2,2'-bibenzimidazole)(1,4-benzenedicarboxylato)](n)
• CAS: 872605-27-1
• 化学式: C₈H₄O₄*C₁₄H₁₀N₄*Zn
• 分子量: 463.768
• InChiKey: GKVOWFGJCIYJBN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.52
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137.62
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  zinc(II) nitrate hexahydrate 、 对苯二甲酸 、 2-(1H-苯并咪唑-2-基)-1H-苯并咪唑 在 NaOH 作用下， 以 水 、 乙腈 为溶剂， 以84%的产率得到[Zn(2,2'-bibenzimidazole)(1,4-benzenedicarboxylato)](n)
  参考文献：
  名称：

  Syntheses, crystal structures and luminescent properties of two new 1D d10 coordination polymers constructed from 2,2′-bibenzimidazole and 1,4-benzenedicarboxylate

  摘要：

  Two novel interesting d(10) metal coordination polymers, [Zn(H(2)bibzim)(BDC)](n) (1) and [Cd(H(2)bibzim)(BDC)](n) (2) [H(2)bibzim = 2,2'-bibenzimidazole, BDC = 1,4-benzenedicarboxylate] have been synthesized under solvothermal conditions and structurally characterized. Both I and 2 are constructed from infinite neutral zigzag-like one-dimensional (ID) chains. The pi-pi interactions and interchain hydrogen-bonding interactions further extend the 1D arrangement to generate a 3D supramolecular architecture for 1 and 2. Both complexes have high thermal stability and display strong blue fluorescent emissions in the solid state upon photo-excitation at 365 nm at room temperature. They are the first two examples that 2,2-bibenzimidazole has been introduced into the d(10) coordination polymeric framework. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2005.07.035