Computational and electrochemical studies on the redox reaction of 2-(2,3-dihydroxy phenyl)-1,3- dithiane in aqueous solution

Electrode potential of 2-(2,3-dihydroxy phenyl)-1,3-dithiane (dpd) was investigated bymeans of cyclic voltammetry (cv) at various potential scan rates. the calculated value wascompared with the experimental value obtained by cyclic voltammetry (cv). all experimentswere done in aqueous phosphate buffer solutions at different phs. the experimental redoxpotential of dpd was obtained to be 0.753 v versus she (standard hydrogen electrode).dft-b3lyp calculations using 6-311++g** basis set were performed to calculate theabsolute redox potential of dpd. the calculated value of the redox potential relative to sheis 0.766 v which is in good agreement with the experimental value (0.753).