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• W3093135490 endingPage "109016" @default.
• W3093135490 startingPage "109016" @default.
• W3093135490 abstract "Many studies utilize the hypothesis that inhibition efficiency increases with increasing electron-donating ability (ΔN) if ΔN < 3.6. This co-called “ΔN < 3.6” rule is critically reevaluated and it is demonstrated to have no validity, firstly, because ΔN is practically always considerably smaller than 3.6, and secondly, because more accurate recalculation of data from where the “ΔN < 3.6” rule originated reveals that there is no correlation between inhibition efficiencies and ΔN. As for the importance of HOMO–LUMO gap, it is shown that for the considered set of 22 heterocyclic organic corrosion inhibitors for iron in acidic solutions, the inhibition efficiency shows a weak volcano-type dependence on the HOMO–LUMO gap, but the correlation is too weak to be quantitative, hence a HOMO–LUMO gap alone is not sufficient to anticipate inhibition efficiency. This weak volcano dependence is at variance with the assumption, often adopted in the literature, that a smaller HOMO–LUMO gap indicates a better inhibitor." @default.
• W3093135490 created "2020-10-22" @default.
• W3093135490 creator A5016251946 @default.
• W3093135490 date "2021-03-01" @default.
• W3093135490 modified "2023-10-16" @default.
• W3093135490 title "On the alleged importance of the molecular electron-donating ability and the HOMO–LUMO gap in corrosion inhibition studies" @default.
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• W3093135490 doi "https://doi.org/10.1016/j.corsci.2020.109016" @default.
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