M. V. Fedotova, S. E. Kruchinin
May 1, 2012
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0
Influential Citations
28
Citations
Journal
Journal of Molecular Liquids
Abstract
Abstract Structural aspects of the hydration of glycine zwitterion (Gly-ZW) in NaCl(aq) were studied over a wide concentration range of NaCl (c = 0–5 M) with the 1D-RISM integral equation method. Analysis of the structural data revealed that increasing salt concentration leads only to minor changes in hydration structure of Gly-ZW with the maximum effect occurring for the NH3+ and COO− groups where the number of H-bonds is decreased. On the other hand, increasing salt concentration stimulates the formation of ion-molecular complexes like ( NH3+:Cl−)aq and ( COO−:Na+)aq. On the basis of the obtained data a structural mechanism for this process is suggested.