Theoretical study on microhydration of NO3- ion: Structure and polarizability

► Preferential solvation instead of uniform solvation is observed for NO3−.nH2O (n>2) clusters. ► Calculated polarizability varies linearly with the size of the cluster. ► The dynamic polarizibilty become infinite at a frequency 6.12 eV. ► A few water molecules are sufficient to mimic the bulk aqueous nitrate system.