RAMAN-SPECTROSCOPIC STUDY OF THE HYDRATES OF 18-CROWN-6
RAMAN-SPECTROSCOPIC STUDY OF THE HYDRATES OF 18-CROWN-6
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DOI：
10.1021/j100021a027
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发表时间：
1995-05-25
影响因子：
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通讯作者：
MATSUURA, H
中科院分区：
文献类型：
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作者：
FUKUHARA, K;TACHIKAKE, M;MATSUURA, H
用拉曼光谱研究了18-冠-6的水合物。18-冠醚-6-水体系的拉曼光谱的分析，结合液相线的检查，表明在液氮温度下形成至少四种不同的水合物。两种水合物的18-冠-6与水的比例分别为1：6和1：4.5，它们的全等熔点分别为23.7和24.0 ℃。冠环在这些水合物的构象基本上是D-3d的1：6水合物同意由最近的晶体结构分析确定的六水合物。1：4.5水合物建议具有类似的Monte Carlo模拟预测的水合结构。目前的实验结果与以前的计算机模拟结果有很好的相关性。
The hydrates of 18-crown-6 have been studied by Raman spectroscopy. The analysis of the Raman spectra, in combination with the examination of the liquidus curve, of the 18-crown-6-water system shows the formation of at least four distinct hydrates at liquid nitrogen temperature. The ratios of 18-crown-6 to water for the two hydrates are 1:6 and 1:4.5, and their congruent melting points are 23.7 and 24.0 degrees C, respectively. The conformation of the crown ring in these hydrates is essentially D-3d The 1:6 hydrate agrees with the hexahydrate determined by a recent crystal structure analysis. The 1:4.5 hydrate is suggested to have a hydration structure similar to that predicted by Monte Carlo simulations. The present experimental findings are well correlated to the results of previous computer simulations.