Potent inhibition of copper corrosion in neutral chloride media by novel non-toxic thiadiazole derivatives

Corrosion inhibition of mild steel by two new S-heterocyclic compounds in 1 M HCl: Experimental and computational study

“…In this way, the mild steel acting as an electrophile is susceptible to attract the negatively charged sites of inhibitor molecule, and the nucleophilic centers of inhibitor molecules are normally heteroatoms with free electron pairs, functional electronegative groups and π-electrons in conjugated double bonds, which are readily available to form chemical bonds [66].…”

Inhibition effect of two mercaptopyrimidine derivatives on cold rolled steel in HCl solution

“…Additionally, the energies of HOMO and LUMO of the inhibitor molecule are related to the ionization potential (I) and the electron affinity (Y), respectively, by the following relations [37]:…”

Inhibition of the corrosion of carbon steel in HCl solution by methionine and its derivatives

“…This is why the ƞ% of methionine and its derivatives followed the order FMOC > CBZ > BOC > Met. However, The frontier molecular orbital energies E HOMO and E LOMO are related to the ionization M a n u s c r i p t 12 potential (I) and the electron affinity (A) of the iron atoms and the inhibitor molecules [47,48] , which are defined as I= -E HOMO and A= -E LOMO [2] , respectively. Then, the absolute electronegativity (χ) and the global hardness (γ) of the inhibitor molecule are approximated by Eq.…”