COMPUTATIONAL AND ELECTROCHEMICAL STUDIES ON THE REDOX REACTION OF 2(2,3DIHYDROXY PHENYL) 1,3DITHIANE IN AQUEOUS SOLUTION

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MAZLOUM ARDAKANI MOHAMMAD; BEITOLLAHI HADI; FARROKHPOUR HOSSEIN; KHOSHROO ALIREZA

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Journal: Iranian Journal of Mathematical Chemistry Year:2012 | Volume:3 | Issue:2 Page(s): 103-112

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Title

COMPUTATIONAL AND ELECTROCHEMICAL STUDIES ON THE REDOX REACTION OF 2(2,3DIHYDROXY PHENYL) 1,3DITHIANE IN AQUEOUS SOLUTION

Author(s)

MAZLOUM ARDAKANI MOHAMMAD | BEITOLLAHI HADI | FARROKHPOUR HOSSEIN | KHOSHROO ALIREZA | Issue Writer Certificate

Keywords

REDOX REACTIONQ3

DENSITY FUNCTIONAL THEORYQ3

COMPUTATIONAL CHEMISTRYQ3

CYCLIC VOLTAMMETRYQ3

Abstract

Electrode potential of 2-(2,3-dihydroxy phenyl)-1,3-dithiane (DPD) was investigated by means of CYCLIC VOLTAMMETRY (CV) at various potential scan rates. The calculated value was compared with the experimental value obtained by CYCLIC VOLTAMMETRY (CV). All experiments were done in aqueous phosphate buffer solutions at different pHs. The experimental redox potential 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 the absolute redox potential of DPD. The calculated value of the redox potential relative to SHE is 0.766 V which is in good agreement with the experimental value (0.753).

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APA: Copy

MAZLOUM ARDAKANI, MOHAMMAD, BEITOLLAHI, HADI, FARROKHPOUR, HOSSEIN, & KHOSHROO, ALIREZA. (2012). COMPUTATIONAL AND ELECTROCHEMICAL STUDIES ON THE REDOX REACTION OF 2(2,3DIHYDROXY PHENYL) 1,3DITHIANE IN AQUEOUS SOLUTION. IRANIAN JOURNAL OF MATHEMATICAL CHEMISTRY, 3(2), 103-112. SID. https://sid.ir/paper/205662/en

Vancouver: Copy

MAZLOUM ARDAKANI MOHAMMAD, BEITOLLAHI HADI, FARROKHPOUR HOSSEIN, KHOSHROO ALIREZA. COMPUTATIONAL AND ELECTROCHEMICAL STUDIES ON THE REDOX REACTION OF 2(2,3DIHYDROXY PHENYL) 1,3DITHIANE IN AQUEOUS SOLUTION. IRANIAN JOURNAL OF MATHEMATICAL CHEMISTRY[Internet]. 2012;3(2):103-112. Available from: https://sid.ir/paper/205662/en

IEEE: Copy

MOHAMMAD MAZLOUM ARDAKANI, HADI BEITOLLAHI, HOSSEIN FARROKHPOUR, and ALIREZA KHOSHROO, “COMPUTATIONAL AND ELECTROCHEMICAL STUDIES ON THE REDOX REACTION OF 2(2,3DIHYDROXY PHENYL) 1,3DITHIANE IN AQUEOUS SOLUTION,” IRANIAN JOURNAL OF MATHEMATICAL CHEMISTRY, vol. 3, no. 2, pp. 103–112, 2012, [Online]. Available: https://sid.ir/paper/205662/en

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