Corrosion inhibition efficiencies of heterocyclic, unsaturated (aromatic and nonaromatic) compounds (pyrimidines, benzothiazole derivatives, amino acids containing an aromatic part, pyridines, and quinolines) were correlated with quantum chemical indices of the respective molecules. Inhibition efficiencies were determined in acidic solutions containing 0.001 M or 0.01 M of the inhibitor. Quantum chemical calculations were made by using the Hückel method. The difference (Δ) between energy of the highest occupied and the lowest unoccupied molecular orbital was related to the inhibition efficiency (E) of the molecules. At values Δ < 1.3 beta, efficiency increased with increasing values of Δ. At values Δ > 1.3 beta, efficiency (in 0.001 M concentration) tended to decrease with increasing values of Δ. The optimal value of index Δ may have been lower in solutions containing 0.01 M of the inhibitor. Results indicated that Δ alone is insufficient to account for all variations in the experimental inhibition efficiency.
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1 January 2001
Research Article|
January 01 2001
Corrosion Inhibitors—Correlation Between Electronic Structure and Efficiency Available to Purchase
E. Kálmán;
E. Kálmán
*Chemical Research Center, Hungarian Academy of Sciences, H-1525 Budapest, PO Box 17,
Hungary
.
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F. Zucchi
F. Zucchi
**Corrosion Study Centre “Aldo Daccó,” Department of Chemistry, University of Ferrara, Via L. Borsari, 46, Ferrara,
Italy
.
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Online ISSN: 1938-159X
Print ISSN: 0010-9312
NACE International
2001
CORROSION (2001) 57 (1): 3–8.
Citation
I. Lukovts, E. Kálmán, F. Zucchi; Corrosion Inhibitors—Correlation Between Electronic Structure and Efficiency. CORROSION 1 January 2001; 57 (1): 3–8. https://doi.org/10.5006/1.3290328
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