(NH4)Y(III)(H2O)(SO4)(oxalate) | 1239361-69-3

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: (NH4)Y(III)(H2O)(SO4)(oxalate)
• CAS: 1239361-69-3
• 化学式: C₂O₄*H₂O*H₄N*O₄S*Y
• 分子量: 309.043
• InChiKey: JDLMQJXEZPUQCT-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -5.3
• 重原子数：
  14.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  228.52
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (NH4)Y(III)(H2O)(SO4)(oxalate) 以 neat (no solvent) 为溶剂， 生成 yttrium(III) oxide
  参考文献：
  名称：

  Hydrothermal synthesis and structure of three novel open-framework lanthanide sulfate–oxalates

  摘要：

  Three novel hybrid open-framework lanthanide sulfate-oxalates, {[NH4][Ln(H2O)(SO4)(C2O4)]}(n) [Ln = Y (1), La (II), Sm (III)] have been synthesized via hydrothermal reaction, and characterized by single crystal X-ray diffraction, powder X-ray diffraction, infrared spectrophotometry, thermal gravimetric analysis and fluorescence analysis. These three compounds were isostructural, and all crystallized into the monoclinic system with space group of P2(1)/n. In their structures, LnO(8) dodecahedra, SO4 tetrahedral and C2O4 groups are linked to give rise to a three-dimensional open-framework, which contains two kinds of 12-membered ring channel systems running along the a and b axis, respectively. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.04.004
• 作为产物：
  描述：

  yttrium(III) oxide 、 ammonium sulfate 、 硫酸 、 草酸 以 乙醇 、 水 为溶剂， 以80%的产率得到(NH4)Y(III)(H2O)(SO4)(oxalate)
  参考文献：
  名称：

  Hydrothermal synthesis and structure of three novel open-framework lanthanide sulfate–oxalates

  摘要：

  Three novel hybrid open-framework lanthanide sulfate-oxalates, {[NH4][Ln(H2O)(SO4)(C2O4)]}(n) [Ln = Y (1), La (II), Sm (III)] have been synthesized via hydrothermal reaction, and characterized by single crystal X-ray diffraction, powder X-ray diffraction, infrared spectrophotometry, thermal gravimetric analysis and fluorescence analysis. These three compounds were isostructural, and all crystallized into the monoclinic system with space group of P2(1)/n. In their structures, LnO(8) dodecahedra, SO4 tetrahedral and C2O4 groups are linked to give rise to a three-dimensional open-framework, which contains two kinds of 12-membered ring channel systems running along the a and b axis, respectively. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.04.004