The dipole moment, polarizability, solvation energy and redox potential were calculated in the 6-311++G(3df,3pd) basis set. The solvation and redox potentials were determined within the PCM model taking into account the dielectric parameters of the respective solvent; H 2 O or DMC was used as the environment. The dielectric and other physical parameters of DMC for the PCM model construction were taken from refs. For simplicity, the solvation energy (G solv ) was calculated as the difference between the free energy of the ion in the PCM model (G PCM ) and that of the ion in vacuum (G vac ): G solv = G PCM -G vac +G °→* , where G °→* =-k B T•ln(24.4509) at T = 298 K is the term describing the process transition of the solute from gas 1 atm to solution 1 mole/L. The redox potential was calculated for the cations from the reduction reaction Ion + + e -= Ion 0 and for the anions from the oxidation reaction Ion -e -= Ion 0 as the difference between the energy of the initial ion (G PCM (Ion ± )) and that of the reduced or oxidized ion (GPCM(Ion0)): E pot = -[G PCM (Ion + ) -G PCM (Ion 0 )]/F or [G PCM (Ion 0 ) -G PCM (Ion -)]/F, where F was the Faraday constant. The absolute value of the redox potential (E pot ) was converted to a value relative to the standard hydrogen electrode (SHE): E pot (vs. SHE) =E pot -4.44 V. The values of the electronic levels of the ions were calculated by the B3LYP functional in the 6-311++G(3df,3pd) basis set in vacuum.