Tailored α-hydroxyphosphonate derivatives: Green synthesis, spectroscopic characterization, DFT analysis, and high-efficiency corrosion protection for copper in acidic media

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dc.authoridDilgin, Yusuf / 0000-0002-2980-6871
dc.contributor.authorFerkous, Hana
dc.contributor.authorGuezane-Lakoud, Samia
dc.contributor.authorSedik, Amel
dc.contributor.authorBoublia, Abir
dc.contributor.authorDelimi, Amel
dc.contributor.authorKahlouche, Abdesalem
dc.contributor.authorBoulechfar, Cherifa
dc.contributor.authorDilgin, Yusuf
dc.date.accessioned2025-05-29T02:57:57Z
dc.date.available2025-05-29T02:57:57Z
dc.date.issued2025
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractThis 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.
dc.description.sponsorshipGeneral Directorate for Scientific Research and Technological Development (DGRSDT)
dc.description.sponsorshipThe authors gratefully acknowledge financial support from the General Directorate for Scientific Research and Technological Development (DGRSDT) under the Algerian Ministry of Scientific Research. Appreciation is also extended to the Laboratoire de Genie mecanique et Materiaux, Facultede Technologie, Universite de Skikda, 21000, Algeria and the Laboratory of Electrochemistry of Molecular Materials and Complexes (LEMMC) at Ferhat Abbas University of Setif for their contributions.
dc.identifier.doi10.1016/j.susmat.2025.e01282
dc.identifier.issn2214-9937
dc.identifier.scopus2-s2.0-85217411918
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.susmat.2025.e01282
dc.identifier.urihttps://hdl.handle.net/20.500.12428/30203
dc.identifier.volume43
dc.identifier.wosWOS:001427969900001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofSustainable Materials and Technologies
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250529
dc.subjectalpha-hydroxyphosphonates
dc.subjectCorrosion inhibition
dc.subjectCopper protection
dc.subjectDFT
dc.subjectRDG analysis
dc.subjectQTAIM
dc.titleTailored α-hydroxyphosphonate derivatives: Green synthesis, spectroscopic characterization, DFT analysis, and high-efficiency corrosion protection for copper in acidic media
dc.typeArticle

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