Structure and dynamics of hydrated Ag+: An ab initio quantum mechanical/charge field simulation

► The simulation reveals that the silver(I) acts as a structure breaker in aqueous solution indicated by its very low mean ligand residence time. ► The first hydration shell is composed of two different types of ligands at varying bond lengths. ► As in the case of hydrated gold(I) the second hydration shell is composed of an exceptionally large number of water molecules. ► Selection of configurations with a given coordination number (i.e. 5-, 6- and 7-coordinated species) enables a more detailed analysis of the hydrated, highlighting the problems associated to systems with rapidly exchanging ligands.