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Terahertz Spectroscopy of Aqueous Solutions of Acetic Acid
Journal of Applied Spectroscopy ( IF 0.8 ) Pub Date : 2021-09-12 , DOI: 10.1007/s10812-021-01230-3
D. T. Bozorova 1 , A. M. Kokhkharov 1 , Sh. P. Gofurov 2 , O. B. Ismailova 3, 4
Affiliation  

The fingerprint regions of infrared and Raman spectra of aqueous solutions of acetic acid at concentrations of 0.3 and 0.8 mole fractions and pure solutions were compared with the calculated data for terahertz (THz) spectroscopy. A molecular-dynamics simulation of THz spectroscopy of aqueous solutions of acetic acid was presented. THz spectroscopy was shown to be informative for determining the structural reorganization of water molecules in aqueous solutions of acetic acid. Special attention was paid to the collective dynamics of water molecules depending on the concentration of acetic acid.



中文翻译:

乙酸水溶液的太赫兹光谱

将浓度为 0.3 和 0.8 摩尔分数的乙酸水溶液和纯溶液的红外和拉曼光谱的指纹区域与太赫兹 (THz) 光谱的计算数据进行比较。提出了乙酸水溶液的太赫兹光谱的分子动力学模拟。太赫兹光谱被证明可用于确定乙酸水溶液中水分子的结构重组。特别注意取决于乙酸浓度的水分子的集体动力学。

更新日期:2021-09-13
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