[Cd(IBA)N₃] | 1578203-67-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Cd(IBA)N₃]
• 英文别名: [Cd(4-(imidazol-1-yl)benzoic acid)N₃]
• CAS: 1578203-67-4
• 化学式: C₁₀H₇N₂O₂*Cd*N₃
• 分子量: 341.608
• InChiKey: KCVHGYVOXYZIDD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  116.65
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 4-(1H-咪唑-1-基)苯甲酸 、 sodium azide 以 水 为溶剂， 反应 72.0h， 以73%的产率得到[Cd(IBA)N₃]
  参考文献：
  名称：

  Construction of 1D to 3D cadmium(II) coordination polymers from 4-(imidazol-1-yl)-benzoic acid: Effect of bridging anions

  摘要：

  Three Cd(II) coordination polymers, [Cd(IBA) Cl(H2O)](n) (1), [Cd(IBA)(CH3COO)](n) (2) and [Cd(IBA)N-3](n) (3) derived from HIBA (HIBA = 4-(imidazol-1-yl)-benzoic acid), have been designed and prepared in the existence of different anions. 1 is a 1D chain and consists of Cd2Cl2 units bridged by imidazolyl nitrogen atom and chelating carboxylate of IBA. In 2, the adjacent Cd(II) are bridged by acetate to form a bis(carboxylateO,O')-Cd(II) dimeric unit, which is inter-connected by exo-tridentate IBA into a 2D layer, in which carboxylate of acetate and IBA alternatively bridge Cd(II) generating carboxylate-O,O'-Cd(II) chains. In 3, mu(1),(1)-azide bridges Cd(II) forming a helical chain, which is further inter-connected by exo-tridentate IBA into a two-folded interpenetrated 3D network with unusual seh-3,5-P4(3)2(1)2 topology. These results show significant anion-dependent effect on the formation of network structures. Solid-state photoluminescence investigation at room temperature indicates complexes 1-3 emit the intense photoluminescence around 450 nm.

  DOI：

  10.1016/j.ica.2014.01.014