neodymium(III) heptanoate | 79321-04-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: neodymium(III) heptanoate
• 英文别名: neodymium(III) octanoate；neodymium octanoate；neodymium octanate；octanoic acid ; neodymium (III)-octanoate；Octansaeure; Neodym(III)-octanoat；neodymium(3+) octanoate
• CAS: 79321-04-3
• 化学式: 3C₈H₁₅O₂*Nd
• 分子量: 573.858
• InChiKey: ATCQNXCKZIKINL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  40.13
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  sodium caprylate 、 neodymium(III) nitrate 以 乙醇 、 水 为溶剂， 生成 neodymium(III) heptanoate
  参考文献：
  名称：

  Spectroscopic study of neodymium soaps in 1-pentanol

  摘要：

  The optical absorption spectra of neodymium(III) butanoate, pentanoate, hexanoate, heptanoate and octanoate in 1-pentanol have been measured. This solvent has been chosen, because the neodymium(III) soaps are sufficiently soluble in it. A set of free-ion parameters is obtained by fitting the calculated energy levels against the experimental levels. The experimental dipole strengths of the transitions are determined from the absorption spectra and parameterised in terms of the Judd-Ofelt intensity parameters Omega(lambda) (lambda=2, 4, 6). The Omega(4) values go through a maximum for neodymium(III) hexanoate, whereas the Omega(2) parameter increases in the order butanoate

  DOI：

  10.1016/s0925-8388(00)00646-0

文献信息

• Spectroscopic and Conductometric Studies of Lanthanide Soaps
  作者：Krishna N. Mehrotra、Rajeev K. Shukla、Mithlesh Chauhan

  DOI：10.1246/bcsj.68.1825

  日期：1995.7

  Infrared spectral studies of lanthanide soaps (octanoates of cerium, didymium, neodymium, and samarium) reveal that fatty acids exist with a dimeric-type structure through hydrogen bonding between two molecules of fatty acids, whereas the metal-to-oxygen bonds in these soaps have an ionic character. The X-ray diffraction results confirm that these soaps have a double-layer structure with molecular axes slightly inclined to the basal plane. The premicellar association and the formation of micelles in lanthanide soap solutions have been investigated by conductometric measurements in a nonaqueous medium. The molar conductance at infinite dilution, the degree of ionization and the ionization constant have been evaluated. The results show that these soaps behave as weak electrolytes in dilute solutions.

  镧系皂（铈、镨、钕和钐的辛酸盐）的红外光谱研究表明，脂肪酸通过两个脂肪酸分子之间的氢键以二聚型结构存在，而这些皂中的金属-氧键具有离子特性。 X射线衍射结果证实这些肥皂具有双层结构，分子轴稍微倾斜于基面。已通过非水介质中的电导测量研究了稀土皂溶液中的预胶束缔合和胶束的形成。评估了无限稀释时的摩尔电导、电离度和电离常数。结果表明，这些肥皂在稀溶液中表现为弱电解质。
• Spectroscopic study of neodymium soaps in 1-pentanol
  作者：K. Binnemans、P. Martello、I. Couwenberg、H. De Leebeeck、C. Görller-Walrand

  DOI：10.1016/s0925-8388(00)00646-0

  日期：2000.5

  The optical absorption spectra of neodymium(III) butanoate, pentanoate, hexanoate, heptanoate and octanoate in 1-pentanol have been measured. This solvent has been chosen, because the neodymium(III) soaps are sufficiently soluble in it. A set of free-ion parameters is obtained by fitting the calculated energy levels against the experimental levels. The experimental dipole strengths of the transitions are determined from the absorption spectra and parameterised in terms of the Judd-Ofelt intensity parameters Omega(lambda) (lambda=2, 4, 6). The Omega(4) values go through a maximum for neodymium(III) hexanoate, whereas the Omega(2) parameter increases in the order butanoate