Experimental and Theoretical Studies for mild Steel Corrosion Inhibition in 1.0 M HCl by Two Stereoisomers of Benzothiazinone Derivatives

Mild steel corrosion inhibition in 1.0 M HCl, by two stereoisomers of 2-phenyl-benzothiazin-3-one (BHT1) and 3-phenyl-benzothiazin-2-one (BHT2), was researched using experimental and theoretical studies. The experimental results showed that the inhibition efficiency depends on the concentration and molecular structure of the investigated compounds, and it reached a maximum of 95 % and 96 %, at 10-4 M and 10-5 M of BHT1 and BTH2, respectively. This difference can be explained by the formation of hydrogen bonds, in BHT1 case. In addition, the polarization studies indicated that the above mentioned products acted as mixed type inhibitors. The molecular structure influence on the corrosion inhibition efficiency was theoretically investigated using DFT calculations. The structural and electronic parameters were determined, and showed good agreement with the experimental results.