Hexanoic acid, neodymium(3+) salt | 41201-19-8

• 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: Hexanoic acid, neodymium(3+) salt
• 英文别名: neodymium(III) pentanoate；neodymium caproate；neodymium (III)-hexanoate；Neodym(III)-hexanoat
• CAS: 41201-19-8；42138-69-2
• 化学式: 3C₆H₁₁O₂*Nd
• 分子量: 489.696
• InChiKey: CHLFUPXUPDUDEJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.32
• 重原子数：
  9.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 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 caproate 、 neodymium(III) nitrate 以 乙醇 、 水 为溶剂， 生成 Hexanoic acid, neodymium(3+) salt
  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 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