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    3,4-Dimethoxy phenyl thiosemicarbazone as an effective corrosion inhibitor of copper under acidic solution: comprehensive experimental, characterization and theoretical investigations
    (Royal Soc Chemistry, 2024) Benachour, Naima; Delimi, Amel; Allal, Hamza; Boublia, Abir; Sedik, Amel; Ferkous, Hana; Djedouani, Amel
    This study investigates the corrosion inhibition potential of 3,4-dimethoxy phenyl thiosemicarbazone (DMPTS) for copper in 1 M hydrochloric acid (HCl) solutions, aiming to disclose the mechanism behind its protective action. Through an integrative methodology encompassing electrochemical analyses-such as weight loss measurements, potentiodynamic polarization, and electrochemical impedance spectroscopy (EIS)-we quantitatively evaluate the corrosion protection efficacy of DMPTS. It was determined that the optimal concentration of DMPTS markedly boosts the corrosion resistance of copper, achieving an impressive inhibition efficiency of up to 89% at 400 ppm. The formation of a protective layer on the copper surface, a critical aspect of DMPTS's inhibitory action, was characterized using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). These techniques provided empirical evidence of surface morphology modifications and roughness changes, affirming the formation of a protective barrier against corrosion. A significant advancement in our study was the application of Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy, which identified chemical adsorption as the definitive mechanism of corrosion inhibition by DMPTS. The ATR-FTIR results explicitly demonstrated the specific interactions between DMPTS molecules and the copper surface, indicative of a robust protective adsorbed layer formation. This mechanistic insight, crucial to understanding the inhibitory process, aligns with the protective efficacy observed in electrochemical and surface analyses. Theoretical support, provided by the Quantum Theory of Atoms in Molecules (QTAIM) and quantum chemical computations, further validated the strong molecular interaction between DMPTS and copper, corroborating the experimental findings. Collectively, this research not only confirms the superior corrosion inhibition performance of DMPTS in an acidic setting but also elucidates the chemical adsorption mechanism as the foundation of its action, offering valuable insights for the development of effective corrosion inhibitors in industrial applications. This study investigates the corrosion inhibition potential of 3,4-dimethoxy phenyl thiosemicarbazone (DMPTS) for copper in 1 M hydrochloric acid (HCl) solutions, aiming to disclose the mechanism behind its protective action.
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    Öğe
    Tailored α-hydroxyphosphonate derivatives: Green synthesis, spectroscopic characterization, DFT analysis, and high-efficiency corrosion protection for copper in acidic media
    (Elsevier, 2025) Ferkous, Hana; Guezane-Lakoud, Samia; Sedik, Amel; Boublia, Abir; Delimi, Amel; Kahlouche, Abdesalem; Boulechfar, Cherifa; Dilgin, Yusuf
    This study presents a comprehensive investigation into the synthesis, characterization, and corrosion inhibition performance of four novel alpha-hydroxyphosphonate compounds-diethyl alpha-hydroxy phenyl phosphonate (DHPP), diethyl alpha-hydroxy 4-chlorophenyl phosphonate (DHCP), diethyl alpha-hydroxy 4-methoxyphenyl phosphonate (DHMP), and E-diethyl alpha-hydroxy phenylallylic phosphonate (DHPAP). Synthesized using an environmentally friendly solvent-free method, the structures of these compounds were confirmed via Fourier Transform Infrared (FTIR) and Nuclear Magnetic Resonance (NMR) spectroscopy. Their efficacy as corrosion inhibitors for copper in a 1 M HCl environment was systematically evaluated using Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization (PDP). Among the inhibitors, DHMP exhibited the highest performance, achieving inhibition efficiencies of 93.46 % (EIS) and 83.25 % (PDP), followed by DHPP, DHCP, and DHPAP (efficiency order: DHMP > DHPP > DHCP > DHPAP). Surface characterization through Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) revealed the formation of protective barrier layers, effectively reducing surface roughness and minimizing copper dissolution. To elucidate the molecular basis of inhibition, Density Functional Theory (DFT) calculations provided insights into electronic properties, including HOMOLUMO energy gaps, Mulliken charges, and Molecular Electrostatic Potential (MEP) distributions. Further analyses using Non-Covalent Interaction (NCI) and Quantum Theory of Atoms in Molecules (QTAIM) emphasized the critical role of van der Waals forces and hydrogen bonding in stabilizing inhibitor-copper interactions. COSMORS studies confirmed favorable solvation behavior and charge distribution, reinforcing the experimentally observed adsorption mechanisms. This work underscores the multifunctionality of alpha-hydroxyphosphonates as effective corrosion inhibitors for industrial applications, while also paving the way for their optimization and broader utilization in corrosion science. The findings highlight the potential of these compounds to significantly advance the development of eco-friendly and efficient corrosion protection strategies.