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Some ion-associated species existed possibly in NaNO_3 solution were investigated via the ab-initio method. The hydrated ion parings,triple and multiple ion clusters in NaNO_3 solution are all analogous to those in Mg(NO_3)_2 system except that the bi-dentate structures can not be formed.Only one solvent-shared ion paring has larger v_1-NO_3~- frequency than the hydrated NO_3~- ion.And all triple clusters with two hydrated Na~+ ions and one NO_3~- have larger v_1-NO_3~- frequency than the hydrated NO_3~- ion.The ion association process in NaNO_3 solution is predicted as free ions→solvent-separated ion pairings→solvent-shared ion pairings→solvent-shared triple ion clusters→contact triple ion clusters→contact multiple ion clusters→amorphous NaNO_3,which is not analogous to that in MgSO_4 but those in Mg(NO_3)_2 and Mg(ClO_4)_2 systems.
Some ion-associated species formed in NaNO_3 solution were investigated via the ab initio method. The hydrated ion parings, triple and multiple ion clusters in NaNO_3 solution are all analogous to those in Mg (NO_3) _2 system except that the bi-dentate The structures can not be formed. One only one solvent-shared ion paring has larger v_1-NO_3 ~ -frequency than the hydrated NO_3 ~ - ion. All all triple clusters with two hydrated Na ~ + ions and one NO_3 ~ -larger v_1-NO_3 ~ - frequency than the hydrated NO_3 ~ - ion.The ion association process in NaNO_3 solution is predicted as free ions → solvent-separated ion pairings → solvent-shared ion pairings → solvent-shared triple ion clusters → contact triple ion clusters → contact multiple ion clusters → amorphous NaNO_3, which is not analogous to that in MgSO_4 but those in Mg (NO_3) _2 and Mg (ClO_4) _2 systems.