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| In this study, our vibrational spectroscopic analysis on hydrogen-bonding between DMSO and water comprises both experimental Raman spectra and ab initio calculations on structures of various DMSO/water clusters with increasing water content. The Raman peak position of the v(S=O) stretching mode of DMSO serves as a probe for monitoring the degree of hydrogen-bonding between DMSO and water. In addition, the two vibrational modes, namely, the CH3 symmetric stretching mode and the CH3 asymmetric stretching mode have been analyzed in 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 studied hydrogen-bonded complexes. |
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2楼2010-05-19 08:27:09