| 74060-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 74060-73-4
• 化学式: C₁₀H₂₀LiO₅*ClO₄
• 分子量: 326.657
• InChiKey: JKAWCVMCPDJXQW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  15-冠醚-5 在 lithium perchlorate 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  7Li-NMR研究在50％离子液体-乙腈混合物中Li +离子与12-Crown-4、15-Crown-5和穴状配体C222，C221和C211的化学计量，稳定性和交换动力学

  摘要：

  摘要7 Li-NMR光谱用于研究Li +离子与乙腈（AN）中的12C4、15C5，C222，C221，C211的络合以及其与两种新型室温离子液体的50％（wt / wt）混合物的络合作用，1 -乙基3-甲基咪唑六氟磷酸盐（EMim PF 6）和1-乙基-3-甲基咪唑四氟硼酸盐（EMim BF 4）在298 K时。不包括在所有溶剂中的Li + -C211和在AN和50中的Li + -C221 ％（wt / wt）AN–EMim PF 6，在其他情况下，游离和1：1络合的Li +之间的交换在NMR时间尺度上是快速的，并且仅观察到一个单一的平均7 Li信号。通过计算机拟合化学位移-摩尔比数据并整合两个7 Li信号来评估所得1：1配合物的形成常数。发现EMim PF 6中的所有配合物比EMim BF 4中的所有配合物更稳定。7 Li-NMR线形分析用于确定动力学参数和在50％（wt / wt）AN–EMim

  DOI：

  10.1016/j.poly.2011.09.028

文献信息

• Proton NMR probing of stoichiometry and thermodynamic data for the complexation of Na+ and Li+ ions with 15-Crown-5 in acetonitrile–nitrobenzene mixtures
  作者：Mohsen Irandoust、Hiua Daraei、Roshanak Rostamian

  DOI：10.1016/j.poly.2011.01.037

  日期：2011.4

  Proton NMR was used to study the complexation reaction of Li+ and Na+ ions with 15-Crown-5 (15C5) in a number of binary acetonitrile (AN)-nitrobenzene (NB) mixtures at different temperatures. In all cases, the exchange between free and complexed 15C5 was fast on the NMR timescale and only a single population average H-1 signal was observed. The formation constants of the resulting 1:1 complexes in different solvent mixtures were determined by computer fitting of the chemical shift mole ratio data. There is an inverse relationship between the complex stability and the amount of AN in the solvent mixtures. The enthalpy and entropy values for the complexation reaction were evaluated from the temperature dependence of the formation constants. In all the solvent mixtures studied, the resulting complex is enthalpy stabilized but entropy destabilized. Finally, the experimental results were compared with theoretical ones that were obtained from molecular modeling methods. Based on our results, it is most probable that Li+-15C5 in solvent stays in a rather nesting complex form with greater LogK(f) values, but Na+-15C5 forms a complete perching complex form with lower LogK(f) values. (C) 2011 Elsevier Ltd. All rights reserved.