neodymium(III) acetate oxalate hydrate | 1144054-38-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: neodymium(III) acetate oxalate hydrate
• CAS: 1144054-38-5
• 化学式: C₂H₃O₂*C₂O₄*H₂O*Nd
• 分子量: 309.32
• InChiKey: OSMRRQAMAVAITK-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -5.58
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  151.89
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  neodymium(III) nitrate hexahydrate 、 草酸 、 溶剂黄146 以 水 为溶剂， 以75.37%的产率得到neodymium(III) acetate oxalate hydrate
  参考文献：
  名称：

  Lanthanide–alkali metals–oxalates coordination polymers: Synthesis and structures of [Nd(C2O4)1.5(H2O)3]·2H2O, Nd(C2O4)(CH3COO)(H2O), KLn(C2O4)2(H2O)4 (Ln=Y, Tb)

  摘要：

  Two new lanthanide-oxalates coordination polymers, [Nd(C2O4)(1.5)(H2O)(3)] center dot 2H(2)O 1, Nd(C2O4)(CH3-COO)(H2O) 2, and two new lanthanide-alkali-oxalates coordination polymers KY(C2O4)(2)(H2O)(4) 3, KTb(C2O4)(2)(H2O)(4) 4, have been synthesized under hydrothermal conditions and their structures were determined by single-crystal X-ray diffraction. Structural analysis shows that the two-dimensional (2D) layer structure of complex 1 is built up by the linkages of lanthanide atoms and the oxygen atoms of the bischelating oxalate ligands. In complex 2, for introducing of acetate groups, a 3D network with parallelogram channels (6.3 x 9.4 angstrom) of complex 2 was obtained. The 3D structures of complexes 3 and 4 contain a channel. filled with lattice water molecules, and the potassium atoms are located in the framework. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.05.029