[zinc(II)(imidazo[4,5-f][1,10]phenanthroline )(benzene-1,3,5-tricarboxylic acid(-2H))(H2O)] | 1415037-84-1

• 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: [zinc(II)(imidazo[4,5-f][1,10]phenanthroline )(benzene-1,3,5-tricarboxylic acid(-2H))(H2O)]
• CAS: 1415037-84-1
• 化学式: C₉H₄O₆*C₁₃H₈N₄*H₂O*Zn
• 分子量: 511.766
• InChiKey: WIIIVXFVYDGSQM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.06
• 重原子数：
  34.0
• 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：
  203.52
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  zinc(II) chloride dihydrate 、 均苯三甲酸 、 imidazo[4,5-f]1,10-phenanthroline 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 72.0h， 以87%的产率得到[zinc(II)(imidazo[4,5-f][1,10]phenanthroline )(benzene-1,3,5-tricarboxylic acid(-2H))(H2O)]
  参考文献：
  名称：

  Syntheses, structures, and photoluminescence of a series of d10 coordination complexes from N,N′-bidentate imidazo[4,5-f][1,10]phenanthroline and benzene-1,3,5-tricarboxylic acid

  摘要：

  Four new d(10) metal-organic complexes, [Cd(L)(HBTC)(H2O)](n) (1), [Cd2Cl(L)(2)(BTC)(H2O)(2)](n) (2), [Zn(L)(HBTC)(H2O)(2)](2)center dot 2H(2)O (3) and [Zn(L)(HBTC)(H2O)](n) (4) were prepared through hydrothermal reactions of L and H3BTC (L = imidazo[4,5-f][1,10] phenanthroline and H3BTC = benzene-1,3,5-tricarboxylicacid). These complexes were structurally characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction. Complexes 1 and 4 are analogous, showing 2D network with the Schlafli symbol of 4.8(2), which further linked into 3D supramolecular architecture by aromatic pi-pi interactions. Complex 2 possesses a 1D chain structure. Two neighboring chains of 2 are linked through the pi-pi interactions into a double chain supramolecular structure. Complex 3 features a dinuclear structure and further forms a 2D layer by pi-pi interactions. The thermal stabilities and photoluminescent properties of the coordination compounds have also been investigated. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.09.007