A comparison of a number of ion parameters obtained by quantum chemical calculations revealed clear correlations with the HOMO and LUMO energies of the ion orbitals. The first parameter to be considered was the adsorption energies on model electrodes represented by aluminum oxide (0001), graphene and Au (111). The best correlations were observed for graphene and aluminum oxide; in case of gold, some deviations were found for the organic cations. Volcano-like correlations were revealed between the adsorption energy of anions on Al 2 O 3 (0001) and graphene surfaces with ε LUMO , and on Au (111) with ε HOMO . Strong correlations were found for the energies of ion binding to solvent molecules represented by water and dimethyl carbonate. Volcano-like dependencies were also observed for the energy of binding of cations to H 2 O and DMC on ε LUMO . In addition, a clear relationship was observed between the dipole moment, polarization and solvation energy of ions, on the one hand, and the HOMO and LUMO energy level. For the anions, the oxidation potential was found to be dependent on the HOMO energy level.