[Tb(benzimidazole-5,6-dicarboxylate)(acetate)]*H2O | 1261086-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [Tb(benzimidazole-5,6-dicarboxylate)(acetate)]*H2O
• CAS: 1261086-45-6
• 化学式: C₂H₃O₂*C₉H₄N₂O₄*H₂O*Tb
• 分子量: 440.127
• InChiKey: ZRXDONDTCQHYME-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -3.78
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  180.57
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  terbium(III, IV) oxide 、 水 、 溶剂黄146 、 苯并咪唑-5,6-二甲酸 以 水 为溶剂， 以67%的产率得到[Tb(benzimidazole-5,6-dicarboxylate)(acetate)]*H2O
  参考文献：
  名称：

  Two 2-D 4-connected lanthanide coordination framework based on benzimidazole-5,6-dicarboxylate and acetate mixed ligands

  摘要：

  Two 2-D polymers, [Ln(bidc)(Ac)center dot H2O](n) (Ln -= Tb(1), Dy(2) H(2)bidc= benzimidazole-5,6-dicarboxylic acid, HAc = acetic acid), have been successfully synthesized under hydrothermal conditions at 150 degrees C and characterized by elemental analysis, infrared spectra and single-crystal X-ray diffraction. Single crystal X-ray diffraction analyses reveal that the two compounds are isomorphous and exhibit one new (4,4)-connected 2-nodal (4(4).6(2))(4(4).6(2)) layer-like net, stabilized by the interchain hydrogen bonding N-H-O, O-H ... O and pi ... pi stacking interactions between two benzimidazole rings. 2-D layers are further connected by the interlayer O-H-O hydrogen-bonding interactions to form a 3-0 supermoleculaer network. Moreover, the luminescent property of compound 1 and thermogravimetric analyses of the two complexes 1-2 are discussed in detail. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.09.019