Please use this identifier to cite or link to this item: http://hdl.handle.net/2307/353
DC FieldValueLanguage
dc.contributor.authorBotti, Alberto-
dc.contributor.authorPagnotta, Sara E.-
dc.contributor.authorBruni, Fabio-
dc.contributor.authorRicci, Maria Antonietta-
dc.date.accessioned2010-07-28T08:39:16Z-
dc.date.available2010-07-28T08:39:16Z-
dc.date.issued2009-01-07-
dc.identifier.citation1en
dc.identifier.urihttp://hdl.handle.net/2307/353-
dc.description.abstractThe results of a neutron diffraction experiment performed on aqueous solutions of KSCN are analyzed and discussed in comparison with similar data for KCl and KOH solutions. The effect of the different ions on the structure of water and the differences and similarities among the ion solvation shells are discussed in detail. In particular it is shown that the effect of KSCN on the structure of water is visible as a shift and a broadening of the second peak of the oxygen-oxygen radial distribution function, which corresponds to a lower number of interstitial water molecules, compared to pure water. The hydration shell of the cation is similar to that found in the case of KCl solutions, and more interestingly the hydration shell of SCN- is asymmetric, with water molecules H-bonded to the N site and weakly correlated to the S site. These results provide a reasonable microscopic description of the mechanism for the high efficiency of thiocyanate in crystallizing basic proteins.en
dc.language.isoen_USen
dc.publisherAmerican Chemical Societyen
dc.relation.ispartofJournal of Physical Chemistry Ben
dc.rightsc2009 American Chemical Societyen
dc.subjectaqueous solutionsen
dc.subjectneutron diffractionen
dc.subjectstructure of liquidsen
dc.subjectH-bondingen
dc.subjection hydrationen
dc.titleSolvation of KSCN in wateren
dc.typeArticleen
dc.subject.miurSettori Disciplinari MIUR::Scienze fisicheen
dc.subject.isicruiCategorie ISI-CRUI::Scienze fisicheen
dc.subject.anagraferoma3Scienze fisicheen
dc.relation.volumenumber113en
dc.relation.pagenumber10014-10021en
dc.identifier.doi10.1021/jp903462h-
dc.relation.issuenumber29en
item.languageiso639-1other-
item.fulltextWith Fulltext-
item.grantfulltextrestricted-
Appears in Collections:A - Articolo su rivista
X_Dipartimento di Fisica 'Edoardo Amaldi'
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