[Nd(2,5-pyridine dicarboxylate)(3-pyridine carboxylate)(H2O)] | 1109162-97-1

• 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: [Nd(2,5-pyridine dicarboxylate)(3-pyridine carboxylate)(H2O)]
• 英文别名: Nd(2,5-pyridinedicarboxylate)(nicotinate)(H2O)
• CAS: 1109162-97-1
• 化学式: C₆H₄NO₂*C₇H₃NO₄*H₂O*Nd
• 分子量: 449.464
• InChiKey: WITMHWVBDVNXSC-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -3.57
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  177.67
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  2,5-二吡啶羧酸 、 neodymium(III) oxide 、 水 在 acetic acid 、 4,4'-bipyridine 作用下， 以 水 为溶剂， 以65%的产率得到[Nd(2,5-pyridine dicarboxylate)(3-pyridine carboxylate)(H2O)]
  参考文献：
  名称：

  In situ hydrothermal decarboxylation for unprecedented three-dimensional lanthanide–organic frameworks

  摘要：

  In situ hydrothermal decarboxylation was observed during preparing two novel three-dimensional (3D) lanthanide-organic frameworks Ln(2,5-PyDC)(3-PyC)(H2O) (Ln = Nd, Sm; 2,5-H2PyDC = 2,5-pyridinedi-carboxylic acid, 3-HPyC = 3-pyridinecarboxylic acid). X-ray crystallographic analyses revealed that both complexes are isomorphous and show an interesting topology. Magnetic study indicated the coupling interaction between Ln(3+) ions in both complexes is weak. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2008.05.001

文献信息

• Hydrothermal synthesis, structure and rare ferromagnetic property of a 3-D Nd(III) metal–organic framework based on mixed pyridine-2,5-dicarboxylic acid/nicotinic acid ligands
  作者：Dao-Jun Zhang、Tian-You Song、Li Wang、Jing Shi、Jia-Ning Xu、Ying Wang、Kui-Rong Ma、Wei-Rong Yin、Li-Rong Zhang、Yong Fan

  DOI：10.1016/j.ica.2008.03.103

  日期：2009.1

  Abstract A novel 3-D metal–organic framework Nd(2,5-pydc)(nic)(H2O) (1, 2,5-pydc = pyridine-2,5-dicarboxylic acid, nic = nicotinic acid) has been hydrothermally synthesized and characterized by elemental analyses, IR, and X-ray single-crystal diffraction. Compound 1 is the first MOF based on mixed 2,5-pydc/nic ligands. The title compound displays an interseting 3-D (6,3)-connected network with the

  摘要一种新型的3D金属-有机骨架Nd（2,5-pydc）（nic）（H2O）（1，2,5-pydc =吡啶-2,5-二羧酸，nic =烟酸）进行了水热法通过元素分析，IR和X射线单晶衍射合成和表征。化合物1是第一个基于混合2,5-pydc / nic配体的MOF。标题化合物显示具有（4.62）2（42×610×83）拓扑的互连的3-D（6,3）连接的网络。磁化率测量表明，化合物1在两个相邻的Nd（III）离子之间呈现出罕见的铁磁相互作用。