[Cd(2,2'-bipyridine)(benzene-1,4-dicarboxylate)(H2O)] | 737783-95-8

• 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(2,2'-bipyridine)(benzene-1,4-dicarboxylate)(H2O)]
• 英文别名: Cd(2,2-bipyridine)(terephthalate)(H2O)；cadmium(2+);2-pyridin-2-ylpyridine;terephthalate;hydrate
• CAS: 737783-95-8
• 化学式: C₈H₄O₄*C₁₀H₈N₂*Cd*H₂O
• 分子量: 450.73
• InChiKey: RRCSJOSHWKPTAG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.27
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  对苯二甲酸 、 Cd(II)(2,2'-bipyridyl)(NO3)2*H2O 在 aq. HNO₃ 、 triethylamine 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以66%的产率得到[Cd(2,2'-bipyridine)(benzene-1,4-dicarboxylate)(H2O)]
  参考文献：
  名称：

  Metal–organic frameworks (MOFs) constructed from ZnII/CdII-2,2′-bipyridines and polycarboxylic acids: Synthesis, characterization and microstructural studies

  摘要：

  Metal-organic frameworks with the compositions [Zn(bpy)(bdc)(H2O)](n) 1, [Zn(bpy)(btec)(1/2)(H2O)](n) 2, [Cd(bpy)(bdc)(H2O)](n) 3 and [Cd(bpy)(btec)(1/2)(H2O)](n) 4 (H(2)bdc = 1,4-benzenedicarboxylic acid = terephthalic acid, H(4)btec = 1,2.4,5-benzenetetracarboxylic acid and bpy = 2,2'-bipyridine) have been synthesized and characterized using spectroscopic and single-crystal X-ray diffraction techniques. In these complexes, Zn-II/Cd-II-2,2'-bipyridine units and carboxylate anions exists as nodes and spacers respectively. An infinite 1D zig-zag chain structure is observed for both complexes I and 3, whereas complexes 2 and 4 display a 3D supramolecular architecture. The complexes are found to be photoluminescent, porous and show significant thermal stability. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.11.059

文献信息

• A novel strong fluorescent three-dimensional supramolecular coordination polymer based on bridging terephthalate
  作者：Hong-Bin Xu、Zhong-Min Su、Kui-Zhan Shao、Ya-Hui Zhao、Yan Xing、Yu-Cang Liang、Heng-Jun Zhang、Dong-Xia Zhu

  DOI：10.1016/j.inoche.2003.11.017

  日期：2004.2

  A novel coordination polymer [Cd(bpy)(tp)(H2O)](n) (1) has been prepared through hydrothermal reaction and structurally characterized, and the compound gives strong fluorescent emission. The structure of the compound consists of CdN2O4 octahedron linked through bridging terephthalate (tp) into 1D structure, and then a 3D supramolecular structure is formed adopting herringbone packing in the solid state through pi-pi stacking and hydrogen bonding interactions. (C) 2003 Elsevier B.V. All rights reserved.