Raman Spectroscopy for the Competition of Hydrogen Bonds in Ternary (H2O-THF-DMSO) Aqueous Solutions
Raman Spectroscopy for the Competition of Hydrogen Bonds in Ternary (H2O-THF-DMSO) Aqueous Solutions
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三元 (H2O-THF-DMSO) 水溶液中氢键竞争的拉曼光谱
DOI：
10.3390/molecules24203666
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发表时间：
2019
期刊：
影响因子：
4.6
通讯作者：
Shunli Ouyang
中科院分区：
文献类型：
--
作者：
Shiliang Liu;Mingzhe Zhang;Baokun Huang;Nannan Wu;Shunli Ouyang
用拉曼光谱研究了水-四氢呋喃(H2O-THF)、水-二甲基亚砜(H2O-DMSO)和水-四氢呋喃-二甲基亚砜(H2O-THF-DMSO)在二元水溶液和三元水溶液中氢键对分子结构的影响。结果表明，在二元水溶液中，四氢呋喃和二甲基亚砜的加入会与水分子形成氢键，导致S=O键和C-O键的峰位发生变化。与二元水溶液相比，三元水溶液中DMSO和THF之间的氢键以及DMSO和H2O之间的氢键是竞争性的，并且氢键竞争受水含量的影响较大。此外，氢键的形成会破坏完全氢键的水，使其转变为部分氢键的水。通过将光谱拟合到分配给具有不同氢键(HB)环境的水分子的三个高斯分量，这些光谱特征被解释为不同溶液体系中的H2O具有相同类型的具有相似HB程度的水分子-完全氢键H2O(FHW)和部分氢键H2O(PHW)。基于高斯拟合法确定了从FHW到PHW的强度跃迁比。因此，可以用PHW/FHW的强度比((I-C2+I-C3)/I-C1)来补充氢键竞争的变化。该研究为丰富多元水溶液体系的氢键理论提供了实验依据。
The effects of hydrogen bonds on the molecular structure of water-tetrahydrofuran (H2O-THF), water-dimethyl sulfoxide (H2O-DMSO), and water-tetrahydrofuran-dimethyl sulfoxide (H2O-THF-DMSO) in binary aqueous solutions and ternary aqueous solutions were studied using Raman spectroscopy. The results indicate that in the binary aqueous solution, the addition of THF and DMSO will generate hydrogen bonds with water molecules, resulting in changes in the peak positions of S=O bonds and C-O bonds. Compared with the binary aqueous solutions, the hydrogen bonds between DMSO and THF, and the hydrogen bonds between DMSO and H2O in the ternary aqueous solutions are competitive, and the hydrogen bond competition is susceptible to water content. In addition, the formation of hydrogen bonds will destroy the fully hydrogen-bonded water and make it change to the partially hydrogen-bonded water. By fitting the spectra into the three Gaussian components assigned to water molecules with different hydrogen bonding (HB) environments, these spectral features are interpreted by a mechanism that H2O in different solution systems has equal types of water molecules with similar HB degrees-fully hydrogen-bonded H2O (FHW) and partially hydrogen-bonded H2O (PHW). The ratio of the intensity transition from FHW to PHW is determined based on Gaussian fitting. Therefore, the variation of hydrogen bond competition can be supplemented by the intensity ratio of PHW/FHW ((I-C2 + I-C3)/I-C1). This study provides an experimental basis for enriching the hydrogen bonding theory of multivariate aqueous solution systems.