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Anomalous surface behavior of hydrated guanidinium ions due to ion pairing
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Uppsala Univ, Dept Phys & Astron, POB 516, SE-75120 Uppsala, Sweden.
Rudjer Boskovic Inst, Bijenicka Cesta 54, Zagreb 10000, Croatia.
Acad Sci Czech Republ, Inst Organ Chem & Biochem, Flemingovo Nam 2, CR-16610 Prague 6, Czech Republic.
Lund Univ, Dept Chem, Phys Chem, POB 124, SE-22100 Lund, Sweden.
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2018 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 148, no 14, article id 144508Article in journal (Refereed) Published
Abstract [en]

Surface affinity of aqueous guanidinium chloride (GdmCl) is compared to that of aqueous tetrapropylammonium chloride (TPACl) upon addition of sodium chloride (NaCl) or disodium sulfate (Na2SO4). The experimental results have been acquired using the surface sensitive technique X-ray photoelectron spectroscopy on a liquid jet. Molecular dynamics simulations have been used to produce radial distribution functions and surface density plots. The surface affinities of both TPA(+) and Gdm(+) increase upon adding NaCl to the solution. With the addition of Na2SO4, the surface affinity of TPA(+) increases, while that of Gdm(+) decreases. From the results of MD simulations it is seen that Gdm(+) and SO42- ions form pairs. This finding can be used to explain the decreased surface affinity of Gdm(+) when co-dissolved with SO42- ions. Since SO42- ions avoid the surface due to the double charge and strong water interaction, the Gdm(+)-SO42- ion pair resides deeper in the solutions' bulk than the Gdm(+) ions. Since TPA(+) does not form ion pairs with SO42-, the TPA(+) ions are instead enriched at the surface.

Place, publisher, year, edition, pages
2018. Vol. 148, no 14, article id 144508
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Physical Chemistry
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URN: urn:nbn:se:uu:diva-353201DOI: 10.1063/1.5024348ISI: 000430128600034PubMedID: 29655316OAI: oai:DiVA.org:uu-353201DiVA, id: diva2:1217443
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Swedish Research CouncilAvailable from: 2018-06-13 Created: 2018-06-13 Last updated: 2018-06-13Bibliographically approved

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Ekholm, VictorWalz, Marie-MadeleineWerner, JosephinaRubensson, Jan-ErikBjörneholm, Olle

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