ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Experimental and theoretical investigation of quinazolin-4(3H)-one derivatives as corrosion inhibitors for low carbon steel in 1 mol/L HCl solutions

Yassine Rhazi, Nazih Ouassou, Abdelmalek Matine, Khalid Boujdi, Mohammed El Mesky, Aziz Arzine, Asmae Nakkabi, Mohammed Chalkha, Abdessamad Tounsi, Mohamed Bakhouch, El Houssine Mabrouk, Ghali Al Houari, and Mohamed El Yazidi

Engineering Laboratory of Organometallic, Molecular and Environment, Faculty of Sciences Dhar EL Mahraz, Sidi Mohamed Ben Abdellah University, AtlasFez, Morocco

E-mail: yassine.rhazi@usmba.ac.ma

Received: 19 July 2025  Accepted: 17 October 2025

Abstract:

In this study, three quinazolin-4(3H)-one derivatives were synthesized and characterized by ¹H and ¹³C NMR. Their corrosion inhibition efficiency for low carbon steel in 1 M HCl was evaluated using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) across 25–55 °C. The derivatives showed high inhibition efficiencies (up to 90.47% at 5.10⁻³ M) and acted as mixed-type inhibitors. Adsorption behavior followed the Langmuir isotherm, with stable adsorption at elevated temperatures. Density Functional Theory (DFT) calculations and molecular dynamics simulations supported the experimental findings, highlighting the correlation between electronic properties and inhibition performance. One compound exhibited the strongest adsorption and formed a stable protective film on the metal surface.

Keywords: Quinazolin-4(3H)-one; Carbon steel; Corrosion inhibition; Langmuir isotherm; SEM/EDX; Molecular dynamics

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-025-04461-2

Chemical Papers 80 (2) 1423–1445 (2026)