Research Article
A Study of 1-Benzyl-3-phenyl-2-thiourea as an Effective Steel Corrosion Inhibitor in 1.0 M HCl Solution
Table 6
Electronic parameters derived for neutral as well as protonated inhibitors.
| Inhibitors | EHOMO (eV) | ELUMO (eV) | ΔE(L-H) (eV) | η (eV) | S (eV−1) |
| BPTU | −5.61 | −0.93 | 4.68 | −3.27 | 2.34 | URO | −6.04 | 0.88 | 6.92 | 3.46 | 0.29 | pBPTU−S1 | −10.04 | −4.84 | 5.21 | 2.60 | 0.38 | pURO−N | −11.05 | −4.26 | 6.78 | 3.39 | 0.29 |
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