[Tb(pyridine-3,5-dicarboxylate)(glycolate)]n | 1507347-55-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Tb(pyridine-3,5-dicarboxylate)(glycolate)]n
• CAS: 1507347-55-8
• 化学式: C₂H₃O₃*C₇H₃NO₄*Tb
• 分子量: 399.075
• InChiKey: NYYFBUOVWZYBMU-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -4.46
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  153.51
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  羟基乙酸 、 3,5-吡啶二甲酸 、 terbium(III) oxide 以 水 为溶剂， 反应 120.0h， 以59%的产率得到[Tb(pyridine-3,5-dicarboxylate)(glycolate)]n
  参考文献：
  名称：

  Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln–Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand

  摘要：

  Nine members of the novel Ln-pyridine-3,5-dicarboxylate coordination polymer family, namely, [Ln(PDC)(GA)](n) (Ln = Gd (1), Tb (2), Dy (3), Er (4)), [Ln(PDC)(OAc)(H2O)](n)center dot nH(2)O (Ln = Sm (5), Eu (6), Gd (7)), [Gd(PDC)(OAc)(H2O)(2)](n).nH(2)O (8), and [Tb(PDC)(1.5)(H2O)](n) (9) (PDC = pyridine-3,5-dicarboxylate, GA = glycolate, OAc = acetate), have been successfully obtained by carefully regulating the ancillary ligand or reaction temperatures. Complexes 1-4 are isomorphous two-dimensional networks generated by Ln glycolate chains and bridging PDC ligands. When the HOAc was utilized instead of glycolic acid, isomorphic three-dimensional compounds 5-7 were isolated. The Ln(3+) atoms are first bridged by acetate anions to give dinuclear clusters, which are extended by nearby six PDC ligands forming a 3D (3,6)-connected flu-topological framework. Notably, the increase of reaction temperature from 160 to 180 degrees C during the synthesis of compound 7 led to compound 8, the other 3D (3,6)-connected structure on the base of dinuclear subunits with rtl topology. Furthermore, the absence of HOAc introduced the formation of compound 9, in which each binuclear cluster links adjacent eight PDC anions to give a 3D (3,8)-connected tfz-d topological structure. The elemental analyses, XRPD, FT-IR, and TGA were also investigated to characterize compounds 1-9. Furthermore, solid-state photoluminescence measurements show that these Ln pyridine-3,5-dicarboxylate coordination polymers produce strong emissions at room temperature.

  DOI：

  10.1021/cg401365x