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Experimental studies on ion-water clusters have provided insights into themicroscopic aspects of hydration phenomena. One common view is that extendingthose experimental studies to larger cluster sizes would give the single ionabsolute hydration free energies not obtainable by classical thermodynamicmethods. This issue is reanalyzed in the context of recent computations andmolecular theories on ion hydration, particularly considering the hydration ofH$^+$, Li$^+$, Na$^+$, and HO$^-$ ions and thence the hydration of neutral ionpairs. The hydration free energies of neutral pairs computed here are in goodagreement with experimental results, whereas the calculated absolute hydrationfree energies, and the excess chemical potentials, deviate consistently fromsome recently tabulated hydration free energies based on ion-water clusterdata. We show how the single ion absolute hydration free energies are notseparated from the potential of the phase in recent analyses of ion-watercluster data, even in the limit of large cluster sizes. We conclude that naivecalculations on ion-water clusters ought to agree with results obtained fromexperimental studies of ion-water clusters because both values include thecontribution, somewhat extraneous to the local environment of the ion, from thepotential of the phase.Comment: 8 pages, 1 figur

Absolute hydration free energies of ions, ion–water clusters, and quasichemical theory