Investigation of hydrogen bonding in neat dimethyl sulfoxide and binary mixture (dimethyl sulfoxide + water) by concentration-dependent Raman study and ab initio calculation |
| |
| Authors: | Ouyang Shun-Li Wu Nan-Nan Liu Jing-Yao Sun Cheng-Lin Li Zuo-Wei and Gao Shu-Qin |
| |
| Institution: | College of Physics, Jilin University, Changchun 130012, China;Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China;Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China;College of Physics, Jilin University, Changchun 130012, China;College of Physics, Jilin University, Changchun 130012, China;College of Physics, Jilin University, Changchun 130012, China |
| |
| Abstract: | In this study, our vibrational spectroscopic analysis is made on hydrogen-bonding between dimethyl sulfoxide and water comprises both experimental Raman spectra and ab initio calculations on structures of various dimethyl sulfoxide/water clusters with increasing water content. The Raman peak position of the v(S=O) stretching mode of dimethyl sulfoxide serves as a probe for monitoring the degree of hydrogen-bonding between dimethyl sulfoxide and water. In addition, the two vibrational modes, namely, the CH3 symmetric stretching mode and the CH3 asymmetric stretching mode have been analysed under different concentrations. We relate the computational results to the experimental vibrational wavenumber trends that are observed in our concentration-dependent Raman study. The combination of experimental Raman data with ab initio calculation leads to a better knowledge of the nature of the hydrogen bonding and the structures of the hydrogen-bonded complexes studied. |
| |
| Keywords: | hydrogen-bonding Raman spectroscopy ab initio calculations dimethl sulphoxide |
| 本文献已被 CNKI 维普 等数据库收录！ |
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
| 点击此处可从《中国物理 B》下载免费的PDF全文 |
|
