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

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Study on Standard Electrode Potential for 2-Propanethiol Sulfone/2-Propanethiol

https://doi.org/10.14233/ajchem.2015.17597
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 & Chemical Engineering, Huaiyin Normal University, Huai An 223300, P.R. China
Weihao Song
Nanjing Foreign Language School Xianlin Campus, Nanjing 210023, P.R. China
Xiaomeng Lv
School of Chemistry & Chemical Engineering, Jiangsu University, Zhenjiang 212013, P.R. China
Jimin Xie
School of Chemistry & Chemical Engineering, Jiangsu University, Zhenjiang 212013, P.R. China
A.F. Zhu
Jiangsu Province Key Laboratory for Chemistry of Low-Dimensional Materials, Jiangsu Key Laboratory for Biomass-Based Energy and Enzyme Technology, School of Chemistry & Chemical Engineering, Huaiyin Normal University, Huai An 223300, P.R. China
F.X. Zhu
Jiangsu Province Key Laboratory for Chemistry of Low-Dimensional Materials, Jiangsu Key Laboratory for Biomass-Based Energy and Enzyme Technology, School of Chemistry & Chemical Engineering, Huaiyin Normal University, Huai An 223300, P.R. China
F.Y. Wu
Jiangsu Province Key Laboratory for Chemistry of Low-Dimensional Materials, Jiangsu Key Laboratory for Biomass-Based Energy and Enzyme Technology, School of Chemistry & Chemical Engineering, Huaiyin Normal University, Huai An 223300, P.R. China

Corresponding Author(s) : Y.Z. Song

songyuanzhi@126.com

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

Abstract

Calculations were performed for 2-propanethiol and 2-propanethiol sulfone. The electrochemical behaviour of 2-propanethiol at gold electrode was investigated by cyclic voltammety and the results showed that the standard electrode potential for 2-propanethiol sulfone/2-propanethiol is 1.073 V, which is consistent with that of 1.083 V at B3LYP/6-31G(d, p)-PCM level. The front orbit theory and Mülliken charges of moleculer explain well on the oxidation of 2-propanethiol in oxidative desulfurization. According to equilibrium theory the experimental equilibrium constant in the oxidative desulfurization system of 2-propanethiol/H2O2 is 1.17 × 1048, which is consistent with the theoretical equilibrium constant of 2.18 × 1048 at B3LYP/6-31++g(d, p)-PCM level, indicating that 2-propanethiol can be oxidized by H2O2 and removed from fuel oils.

Keywords

2-Propanethiol Standard electrode potential Oxidative desulfurization
Song, Y., Song, W., Lv, X., Xie, J., Zhu, A., Zhu, F., & Wu, F. (2015). Study on Standard Electrode Potential for 2-Propanethiol Sulfone/2-Propanethiol. Asian Journal of Chemistry, 27(3), 902–906. https://doi.org/10.14233/ajchem.2015.17597
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