Solvation structure around ruthenium(II) tris(bipyridine) in lithium halide solutions
2016 (English)In: STRUCTURAL DYNAMICS, ISSN 2329-7778, Vol. 3, no 2, 023607Article in journal, Meeting abstract (Refereed) PublishedText
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
Atom and Molecular Physics and Optics
IdentifiersURN: urn:nbn:se:uu:diva-299394DOI: 10.1063/1.4939898ISI: 000375803100008PubMedID: 26798838OAI: oai:DiVA.org:uu-299394DiVA: diva2:949278
3rd International Conference on Ultrafast Structural Dynamics, JUN 10-12, 2015, Zurich, SWITZERLAND