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AbstractIn this study, two 8-hydroxyquinoline derivatives, HAPAQ and EAPAQ, were first synthesized, and their molecular structures were confirmed by 1H and 13C NMR. The effects of HAPAQ and EAPAQ on corrosion processes were investigated using weight loss, electrochemical, and theoretical methods. Overall, the data unmistakably demonstrate that the inhibition performance (η %) increases with an increase as HAPAQ and EAPAQ concentrations rise, peaking at 96.08% (HAPAQ) and 94.37% (EAPAQ) at the optimal concentration (10−3 M) for PPD technology. The two 8-hydroxyquinoline derivatives exhibit inhibitory behavior, as seen by the polarization curve impedance tests; however, they demonstrate that adsorption promotes protective action on metal surfaces, creating a geometric blocking effect and a protective coating that impedes metal breakdown. HAPAQ and EAPAQ's inhibitory efficacy may be reduced by the rising temperature. Furthermore, it adheres to Langmuir’s single-layer adsorption isotherm, and the physisorption and chemisorption mechanisms are linked to the corresponding value of the adsorption energy (ΔGads). Additionally, the MS scanning electron microscope (SEM) has been studied and discussed. The possibility of complex organization between the inhibitor molecules, 8-hydroxyquinoline derivatives (HAPAQ and HAPAQ), and the Fe2+ ions generated during the oxidation process was established by examining the test solutions using UV–visible spectroscopy. Consequently, it is evident from DFT simulations that the surface recovery is dependent on the local reactivity descriptors. The theoretical outcomes derived from DFT are aligned with the findings of the experimental studies. [ABSTRACT FROM AUTHOR]

The study aims to synthesize two green pyrazole compounds, N -((1 H -pyrazol-1-yl)methyl)-4-nitroaniline (L4) and ethyl 5-methyl-1-(((4-nitrophenyl)amino)methyl)-1 H -pyrazole-3-carboxylate (L6), and test their action as corrosion inhibitors for carbon steel (CS) in a 1 M HCl solution. Both chemical and electrochemical methods, namely, gravimetric measurements (WL), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS), were used to assess the efficiency of the investigated molecules. DFT calculations at B3LYP/6-31++G (d, p) and molecular dynamics simulation were used to carry out quantum chemical calculations in order to link their electronic characteristics with the findings of experiments. The organic products exhibited good anticorrosion ability, with maximum inhibition efficiencies (IE %) of 91.8 and 90.8% for 10 -3 M L6 and L4, respectively. In accordance with PDP outcomes, L6 and L4 inhibitors act as mixed-type inhibitors. Assessment of the temperature influence evinces that both L4 and L6 are chemisorbed on CS. The adsorption of L4 and L6 on CS appears to follow the Langmuir isotherm. Scanning electron microscopy and UV-visible disclose the constitution of a barrier layer, limiting the accessibility of corrosive species to the CS surface. Theoretical studies were performed to support the results derived from experimental techniques (WL, PDP, and EIS)., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)