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Vol. 27 No. 3 (2015): Vol 27 Issue 3

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Study on Oxidation of 1,2-Dipropyldisulfane in Oxidative Desulfurization

https://doi.org/10.14233/ajchem.2015.18273
Y.Z. Song
Jiangsu Province Key Laboratory for Chemistry of Low-Dimensional Materials, Jiangsu Key Laboratory for Biomass-Based Energy and Enzyme Technology, School of Chemistry and Chemical Engineering, Huaiyin Normal University, Huai An 223300, P.R. China

Corresponding Author(s) : Y.Z. Song

songyuanzhi@126.com; songyuanzhi@sina.com

Asian Journal of Chemistry, Vol. 27 No. 3 (2015): Vol 27 Issue 3

Abstract

DFT calculations were performed for calculation of standard electrode potential for 1,2-dipropyldisulfane sulfone/2-dipropyldisulfane. The electrochemical behaviour of 1,2-dipropyldisulfane at gold electrode was investigated by cyclic voltammety and the results showed that experimental standard electrode potential for 1,2-dipropyldisulfane sulfone/1,2-dipropyldisulfane is 1.111 V, which is consistent with that of 1.067 V at B3LYP/6-31++g(d, p)-PCM level. The front orbit theory and Mülliken charges of moleculer explain well on the oxidation of 1,2-dipropyldisulfane in oxidative desulfurization. According to equilibrium theory the experimental equilibrium constant in the oxidative desulfurization system of 1,2-dipropyldisulfane/H2O2, is 2.27 × 1089, which is consistent with the theoretical equilibrium constant is 2.10 × 1095 at B3LYP/6-31++g(d, p)-PCM level, indicating that 1,2-dipropyldisulfane can be oxidized by H2O2.

Keywords

1 2-Dipropyldisulfane Standard electrode potential Oxidative desulfurization
Song, Y. (2015). Study on Oxidation of 1,2-Dipropyldisulfane in Oxidative Desulfurization. Asian Journal of Chemistry, 27(3), 1087–1092. https://doi.org/10.14233/ajchem.2015.18273
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