硫酸单乙酯铒盐 | 19034-22-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 中文名称: 硫酸单乙酯铒盐
• 英文名称: sulfuric acid monoethyl ester, erbium salt
• 英文别名: sulfuric acid monoethyl ester; erbium salt；Schwefelsaeure-monoaethylester; Erbium-Salz；Schwefelsaeure-monoaethylester; Erbium(III)-Verbindung
• CAS: 19034-22-1
• 化学式: 3C₂H₅O₄S*Er*9H₂O
• 分子量: 704.773
• InChiKey: FFRNKRQVKUMEQS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.34
• 重原子数：
  9.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  97.93
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  erbium sulfate 、 barium ethyl sulfate 以 水 为溶剂， 生成 硫酸单乙酯铒盐
  参考文献：
  名称：

  Proton coordinates in Er(C₂H₅SO₄)₃⋅9H₂O and ErCL₃⋅6H₂O from single crystal NMR studies

  摘要：

  Proton coordinates have been determined for all hydrate protons in Er(C2H5SO4)3⋅9H2O and ErCl3⋅6H2O from NMR studies on single crystals. The paramagnetic NMR shift in these systems has been determined to be completely point dipolar within experimental error. In the case of Er(C2H5SO4)3⋅9H2O it was found that ’’jump rotation’’ or tunneling motion was occurring at −10 °C which averaged the NMR shift for the two water protons but left the dipolar interaction between the two protons intact. No such motion was observed for ErCl3⋅6H2O at room temperature. Methods of analysis of NMR in single crystals having rare earth ions have been developed which are capable of giving proton coordinates in a unit cell to an accuracy of 5 pm without the need of a very precise orientation of the crystal relative to the magnetic field.

  DOI：

  10.1063/1.440172

文献信息

• Far-infrared evidence for the hydration number change of rare earth ions in aqueous solution
  作者：Shigeru Yamauchi、Hitoshi Kanno、Yoshifumi Akama

  DOI：10.1016/0009-2614(88)85141-8

  日期：1988.10

  [Ln(H2O)9] (C2H5SO4)3 (Ln = La-Lu) complexes have been measured and the peak at 316 (La)342 (Lu) cm−1 assigned to a νM-O vibrational mode. Its frequency shows a continuous increase with decrease in the ionic radius of Ln3+. We interpret the results as evidence for the hydration number change of Ln3+ ions in the intermediate region of the rare earth series in aqueous rare earth electrolyte solutions.

  测量了[Ln（H 2 O）9 ]（C 2 H 5 SO 4）3（Ln = La-Lu）配合物的远红外光谱，并且在316（La）342（Lu）cm -1处具有峰分配给νM -O振动模式。随着Ln 3+离子半径的减小，其频率不断增加。我们将结果解释为稀土水溶液电解质溶液中稀土系列中间区域中Ln 3+离子水合数变化的证据。