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

Formal potentials of some para-dihydroxybenzene derivatives in non aqueoussolution were computed theoretically using second order m?ller–plesset perturbationtheory. the calculations were carried out at the mp2 level by the continuum solvationmethod of pcm to mimic the role of the solvent, and obtain experimental data with theaim of cyclic voltammetry (as an electrochemical technique). the theoretical andexperimental values for the formal potential of studied para-dihydroxybenzene were inagreement with each other and the average error of calculation of formal potentials wasless than 0.005 v. the agreement mutually verifies the accuracy of the experimentalmethod and the validity of the mathematical model. for the first time, the effect ofelectrolyte concentration in the calculation of electrode potential was considered. theresults showed that with an increase in electrolyte concentration, the electrode potentialslightly decreased, but these changes were not significant.