Cd(9,10-bis(imidazol-1-ylmethyl)anthracene)(2,3-pyridinedicarboxylate) | 1320210-29-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Cd(9,10-bis(imidazol-1-ylmethyl)anthracene)(2,3-pyridinedicarboxylate)
• CAS: 1320210-29-4
• 化学式: C₇H₃NO₄*C₂₂H₁₈N₄*Cd
• 分子量: 615.927
• InChiKey: TVRRBILSAUMMKO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  128.79
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2,3-吡啶二甲酸 、 1,1'-[9,10-蒽二酰基双(亚甲基)]双-1H-咪唑 、 cadmium(II) acetate dihydrate 在 NaOH 作用下， 以 甲醇 、 水 为溶剂， 以53%的产率得到Cd(9,10-bis(imidazol-1-ylmethyl)anthracene)(2,3-pyridinedicarboxylate)
  参考文献：
  名称：

  A series of metal–organic frameworks based on 9,10-bis(imidazol-1-ylmethyl)anthracene and structurally related aromatic dicarboxylates: Syntheses, structures, and photoluminescence

  摘要：

  A series of new metal-organic frameworks (MOFs) based on 9,10-bis(imidazol-1-ylmethyl)anthracene and four structurally related aromatic dicarboxylares, namely, [Cd(L)(o-bdc)]center dot 1.25H(2)O (1), [Cd(L)(pydc)] (2), [Zn(L)(pydc)] (3), [Cd-3(L)(2)(m-bdc)(3)] (4) and [Cd(L)(p-bdc)]center dot 2H(2)O (5) (L = 9,10-bis(imidazol-1-ylmethyl)anthracene, o-H(2)bdc = 1,2-benzenedicarboxylic acid, H(2)pydc = 2,3-pyridinedicarboxylic acid, m-H(2)bdc = 1,3-benzenedicarboxylic acid, p-H(2)bdc = 1,4-benzenedicarboxylic acid) have been synthesized under hydrothermal conditions. Their structures have been determined by single-crystal X-ray diffraction analyses, and further characterized by infrared spectra (IR), elemental analyses and powder X-ray diffraction (PXRD). Compound 1 displays a two-dimensional (2D) layer structure, which is stabilized by intramolecular hydrogen-bonding interactions. Compounds 2 and 3 are isostructural and show 2D layer structures, which are further extended by intermolecular C-H center dot center dot center dot O hydrogen-bonding interactions to form 3D supramolecular frameworks. Compound 4 has a 2D layer structure with trinuclear units (Cd3(u(3)-O)(2)](6+). Compound 5 is a 3D three-fold interpenetrating framework with a Schlafli symbol (6(6).8). The structural differences of these compounds indicate that the anions play important roles in the resulting structures of the MOFs. The luminescent properties were also investigated for compounds 1-5. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.05.035