[Cd(2,2'-(naphthalene-1,5-diylbis(oxy))diacetate)(1,4-bis(pyridin-4-ylmethoxy)benzene)]n | 1401094-79-8

• 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: [Cd(2,2'-(naphthalene-1,5-diylbis(oxy))diacetate)(1,4-bis(pyridin-4-ylmethoxy)benzene)]n
• CAS: 1401094-79-8
• 化学式: C₁₄H₁₀O₆*C₁₈H₁₆N₂O₂*Cd
• 分子量: 678.977
• InChiKey: BIWZXZZHPGWQAS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  43.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  142.96
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  cadmium(II) acetate dihydrate 、 2,2'-(naphthalene-1,5-diylbis(oxy))diacetic acid 、 1,4-二(吡啶-4-基甲氧基)苯 以 水 为溶剂， 反应 72.0h， 以47.7%的产率得到[Cd(2,2'-(naphthalene-1,5-diylbis(oxy))diacetate)(1,4-bis(pyridin-4-ylmethoxy)benzene)]n
  参考文献：
  名称：

  Syntheses, characterization and crystal structure of d10 coordination architectures: From 1D to 3D complexes based on mixed ligands

  摘要：

  Three coordination polymers, namely, [Zn-2(ndd)(2)(2,2'-bpy)(2)center dot 2H(2)O](n) (1) [Cd(ndd)(2,2'-bpy)](n) (2), and [Cd(ndd)(1,4-pyb)](n) (3), where H(2)ndd = 2,2'-(naphthalene-1,5-diylbis(oxy))diacetic acid, 1,4-pyb = 1,4-bis(pyridin-4-ylmethoxy)benzene and 2,2'-bpy = 2,2'-bipyridine, have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction analyses, powder X-ray diffraction and thermogravimetric analysis. Compound 1 can be considered as a 1D chain, which is further linked through the strongly multiple pi-pi interactions into a 3D supramolecular structure. By changing the metal ions, compound 2 is the 2D square structure (10.96 x 15.20 angstrom) with the 4(4).6(2) topology. By changing the auxiliary ligand, compound 3 presents a new (4,5)-connected 3D network with the point symbol of (4(2).6(5).8(3))(2).(6(6)). Furthermore, compounds 1-3 show good fluorescence properties in the solid state at room temperature. Crown Copyright (C) 2012 Published by Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.05.037