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Structure and Dynamics of Water Confined in Dimethyl Sulfoxide

โœ Scribed by A. Wulf; Ralf Ludwig

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
187 KB
Volume
7
Category
Article
ISSN
1439-4235

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โœฆ Synopsis

Abstract

We study the structure and dynamics of hydrogenโ€bonded complexes of H~2~O/D~2~O and dimethyl sulfoxide (DMSO) by infrared spectroscopy, NMR spectroscopy and ab initio calculations. We find that single water molecules occur in two configurations. For one half of the water monomers both OH/OD groups form strong hydrogen bonds to DMSO molecules, whereas for the other half only one of the two OH/OD groups is hydrogenโ€bonded to a solvent molecule. The Hโ€bond strength between water and DMSO is in the order of that in bulk water. NMR deuteron relaxation rates and calculated deuteron quadrupole coupling constants yield rotational correlation times of water. The molecular reorientation of water monomers in DMSO is twoโ€andโ€aโ€half times slower than in bulk water. This result can be explained by local structure behavior.

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