neodymium(III) disulfate hydrogen sulfate | 263546-10-7

• 英文名称: neodymium(III) disulfate hydrogen sulfate
• CAS: 263546-10-7
• 化学式: HO₄S*Nd*O₇S₂
• 分子量: 417.439
• InChiKey: DPGQDIIXUVBSMK-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -3.07
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  201.06
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  neodymium(III) oxide 、 三氧化硫 以 硫酸 为溶剂， 生成 neodymium(III) disulfate hydrogen sulfate
  参考文献：
  名称：

  Nd(S2O7)(HSO4)：稀土元素的第一个硫酸盐

  摘要：

  Light violett single crystals of Nd(S2O7)(HSO4) have been obtained by the reaction of Nd2O3 and oleum (30% SO3) at 200 degrees C in sealed glass ampoules. The crystal structure (monoclinic, P2(1)/n, Z = 4, a = 857.8(1), b = 1061.0(2), c = 972.4(1) pm, beta = 99.33(2)degrees) contains Nd3+ in eightfold coordination of oxygen atoms which belong to three HSO4- ions and four S2O72- groups. One of the latter acts as bidentate ligand, Hydrogen bonding is observed between the H atom of the HSO4- ion and the non-coordinating O atom of the S2O72+ group.

  DOI：

  10.1002/(sici)1521-3749(200003)626:3<621::aid-zaac621>3.0.co;2-k