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Solvation Structure Around ruthenium(II) Tris(bipyridine) in Lithium Halide Solutions

Solvation Structure Around ruthenium(II) Tris(bipyridine) in Lithium Halide Solutions

Ida Josefsson, Susanna K Eriksson, Håkan Rensmo, Michael Odelius

Struct Dyn. 2016 Jan 12;3(2):023607.

PMID: 26798838

Abstract:

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.

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Catalog Number	Product Name	Structure	CAS Number	Price
LS7931734	Methyl-d3-lithium, as complex with lithium iodide solution			Price

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