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International Journal of Corrosion
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International Journal of Corrosion
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2022
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Article
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Tab 9
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Research Article
Anticorrosive Effect of Halogenated Aniline Enaminoesters on Carbon Steel in HCl
Table 9
Electronic properties of F-EN, Cl-EN, Br-EN, and H-EN obtained by semi-empirical PM6 method.
Inhibitor
(eV)
ΔE
LUMO
-
HOMO
(eV)
(D)
HOMO
LUMO
F-EN
- 8.84
- 0.36
8.48
5.44
Cl-EN
- 8.97
- 0.60
8.37
3.79
Br-EN
- 8.80
- 0.49
8.31
3.42
H-EN
- 8.95
- 0.70
8.25
1.58