15C5-Y3+ | 75324-70-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 15C5-Y3+
• 英文别名: 15C5-Y³⁺
• CAS: 75324-70-8
• 化学式: C₁₀H₂₀O₅*Y
• 分子量: 309.172
• InChiKey: VGWBTQQFXXECCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.15
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  15-冠醚-5 、 yttrium(lll) nitrate hexahydrate 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 15C5-Y3+
  参考文献：
  名称：

  Determination of the thermodynamic parameters, stoichiometry, and stability constants for complex formation of dicyclohexyl-18-crown-6 and 15-crown-5 with Y3+, La3+, and Hg2+ cations in binary solutions

  摘要：

  The complexation of Y3+, La3+, and nd Hg2+ cations with macrocyclic ligands, dicyclohexyl-18-crown-6 (DCH18C6) and 15-crown-5 (15C5) have been studied in acetonitrile (AN)-N,N-dimethylformamide (DMF) binary solutions at different temperatures using conductometric method. The conductance data revealed 1: 1 [ML] stoichiometry for most complexes in pure DMF and AN-DMF binary solutions, except for the (DCH18C6-Y3+) complex in pure AN (1: 2, [ML2]). The stability constants of DCH18C6-La3+ and 15C5-La3+ in pure AN were higher than in pure DMF at all temperatures. Nonlinear behavior was observed for the stability constants of complexes against the composition of AN-DMF binary solutions at all temperatures. The minimum log K (f) value for the 15C5-La3+ complex in AN-DMF binary solutions was obtained at chi(AN) = 0.5, which may be due to negative excess viscosities eta(E) of AN-DMF mixtures over the whole composition range with a minimum value of chi(AN) = 0.5. Moreover, the selectivity order of DCH18C6 and 15C5 for Y3+, La3+, and Hg2+ cations 25A degrees C depended on the AN-DMF ratio. The thermodynamic parameters (Delta H (C) (0) ) for complex formation were obtained from the temperature dependences of the stability constants of the complexes using the van't Hoff plots, and the standard entropy (Delta S (C) (0) ) was calculated from the relationship: Delta G (C, 298.15) (0) = Delta H (C) (0) - 298.15 Delta S (C) (0) .

  DOI：

  10.1134/s1070363213120451