Theoretical and Experimental Determination of some Para-dihydroxybenzenes Formal Potentials: Concern to Electrolyte Concentration Effect

Formal potentials of some Para-dihydroxybenzene derivatives in non aqueous solution were computed theoretically using second order M?ller–Plesset perturbation theory. The calculations were carried out at the MP2 level by the continuum solvation method of PCM to mimic the role of the solvent, and obtain experimental data with the aim of cyclic voltammetry (as an electrochemical technique). The theoretical and experimental values for the formal potential of studied para-dihydroxybenzene were in agreement with each other and the average error of calculation of formal potentials was less than 0.005 V. The agreement mutually verifies the accuracy of the experimental method and the validity of the mathematical model. For the first time, the effect of electrolyte concentration in the calculation of electrode potential was considered. The results showed that with an increase in electrolyte concentration, the electrode potential slightly decreased, but these changes were not significant.