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Solvation structure around ruthenium(II) tris(bipyridine) in lithium halide solutions
Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
2016 (English)In: STRUCTURAL DYNAMICS, ISSN 2329-7778, Vol. 3, no 2, 023607Article in journal, Meeting abstract (Refereed) Published
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Abstract [en]

The solvation of the ruthenium(II) tris(bipyridine) ion ([Ru(bpy)(3)](2+)) is investigated with molecular dynamics simulations of lithium halide solutions in polar solvents. The anion distribution around the [Ru(bpy)(3)](2+) complex exhibits a strong solvent dependence. In aqueous solution, the iodide ion forms a solvent shared complex with [Ru(bpy)(3)](2+), but not in the other solvents. Between Cl- and [Ru(bpy)(3)](2+), the strong hydration of the chloride ion results in a solvent separated complex where more than one solvent molecule separates the anion from the metal center. Hence, tailored solvation properties in electrolytes is a route to influence ion-ion interactions and related electron transfer processes.

Place, publisher, year, edition, pages
2016. Vol. 3, no 2, 023607
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:uu:diva-299394DOI: 10.1063/1.4939898ISI: 000375803100008PubMedID: 26798838OAI: oai:DiVA.org:uu-299394DiVA: diva2:949278
Conference
3rd International Conference on Ultrafast Structural Dynamics, JUN 10-12, 2015, Zurich, SWITZERLAND
Available from: 2016-07-18 Created: 2016-07-18 Last updated: 2016-07-18Bibliographically approved

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Rensmo, Håkan

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