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Electrocatalytic Oxidation of Dibenzothiophene and 4,6-Dimethyldibenzothiophene at Gold-Polyaniline (Au-PANI) Composite Electrodes
Electrocatalysis ( IF 3.1 ) Pub Date : 2020-08-07 , DOI: 10.1007/s12678-020-00617-8
Siyabonga Shoba , Owolabi M. Bankole , Adeniyi S. Ogunlaja

In this study, glassy carbon electrodes modified with gold-polyaniline (Au-PANI) were evaluated for the ability to electrochemically oxidize dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (4,6-DMDBT). Au-PANI was characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), transmission electron micrograph (TEM), and scanning electron micrograph (SEM). The role of nitrogen groups of PANI on the formation of Au-PANI was shown by FT-IR. XPS confirmed the various electronic states and environment of oxygen, nitrogen, gold, and carbon in Au-PANI film. TEM results indicated that Au particle size is in the range of 3.50–6.97 nm, while SEM results confirmed the heterogeneous nature of PANI and Au-PANI surfaces. In this study, density functional theory (DFT) with the B3LYP functional and 6-311++G** basis set was used to examine the electronic properties of DBT/4,6-DMDBT onto the surface of PANI nanocomposite. Electrochemical tests indicate that the Au-PANI exhibits high catalytic activity for DBT and 4,6-DMDBT electrooxidation. Oxidation products such as DBTO = dibenzothiophene sulfoxide; 4,6-DMDBTO = 4,6-dimethydibenzothiophene sulfoxide; DBTO2 = dibenzothiophene sulfone; and 4,6-DMDBTO2 = 4,6-dimethydibenzothiophene sulfone were confirmed by means of gas chromatograph coupled to mass spectrometer (GC-MS), 1H, and 13C NMR.

Graphical Abstract



中文翻译:

金-聚苯胺(Au-PANI)复合电极对二苯并噻吩和4,6-二甲基二苯并噻吩的电催化氧化

在这项研究中,评估了用金-聚苯胺(Au-PANI)修饰的玻璃碳电极的电化学氧化二苯并噻吩(DBT)和4,6-二甲基二苯并噻吩(4,6-DMDBT)的能力。Au-PANI的特征在于傅立叶变换红外光谱(FT-IR),X射线光电子能谱(XPS),透射电子显微照片(TEM)和扫描电子显微照片(SEM)。傅立叶变换红外光谱显示了PANI的氮基对Au-PANI形成的作用。XPS证实了Au-PANI膜中氧,氮,金和碳的各种电子状态和环境。TEM结果表明Au的粒径在3.50-6.97 nm之间,而SEM结果证实了PANI和Au-PANI表面的不均匀性。在这个研究中,密度泛函理论(DFT),具有B3LYP功能和6-311 ++ G **基集,用于检查DBT / 4,6-DMDBT在PANI纳米复合材料表面上的电子性质。电化学测试表明,Au-PANI对DBT和4,6-DMDBT电氧化具有高催化活性。氧化产物,例如DBTO =二苯并噻吩亚砜;4,6-DMDBTO = 4,6-二甲基二苯并噻吩亚砜; DBTO2 =二苯并噻吩砜; 通过与质谱仪联用的气相色谱仪(GC-MS),1 H和13 C NMR确认了4,6-DMDBTO 2和4,6-DMDBTO = 4,6-二甲基二苯并噻吩砜。

图形概要

更新日期:2020-08-08
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