Electrochemical and quantum chemical investigation on the adsorption behavior of pyrazole-pyridine derivative for corrosion protection of copper in sulfuric acid medium
Ansari K.R. Singh A. Alanazi A.K. Tripathi A. Ansari F.A. Akmaral A. Yeldana B. Berdimurodov E. Lin Y.
5 December 2025Elsevier B.V.
Journal of Molecular Structure
2025#1346
In order to prevent corrosion across an assortment of uses, including the chemicals and electronics sectors, there is crucial to develop innovative corrosion- inhibiting compounds for copper (Cu). Pyrazole-pyridine (PPN) is synthesized within this work potentially an anti-corrosion agent with an excellent LD50 level of 900.13 mg/kg. According to molecular characterizations, PPN includes a large number of heteroatoms (like N) and functional units consisting heteroatoms, thus being compatible to fundamental characteristics of corrosion-inhibiting compounds. The strong inhibitory potential value of 96.6% (75 mg/L, PPN + 5 mM KI) is supported by the weight loss findings. The electrochemical result represents rise in impedance level upto 29840 Ω cm2 at 75 mg/L PPN. The results of scanning electron microscope (SEM) and Atomic force microscopy (AFM) represents much smoother surface in presence of PPN. Additionally, the adsorption of PPN was over the Cu was supported by Energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS). The Density functional theory (DFT) and Molecular dynamic simulation (MD) calculations further supports stronger adsorption of PPN molecules in its neutral form over the Cu and Cu2O surfaces. Overall, PPN exhibits considerable promise as environmentally benign anti-corrosion agents for Cu safeguarding, providing a fresh approach towards corrosion exploration and real-world implement.
Atomic force microscopy , Copper , Corrosion , PPN , X-ray photoelectron spectroscopy
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School of New Energy and Materials, Southwest Petroleum University, Sichuan, Chengdu, 610500, China
State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Sichuan, Chengdu, 610500, China
Department of Chemistry, Nagaland University, Lumami, Nagaland, Zunheboto, 798627, India
Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia
Department of Environmental Science Nagaland University, Lumami, Nagaland, Zunheboto, 798627, India
Department of Chemistry, Integral University, Kursi Rd, Dashauli, Uttar Pradesh, Lucknow, 226026, India
Al-Farabi Kazakh National University, Al-Farabi Avenue 71, Almaty, 050040, Kazakhstan
Faculty of Chemistry, National University of Uzbekistan, Tashkent, 100034, Uzbekistan
Western Caspian University, Baku, AZ-1001, Azerbaijan
Faculty of Chemistry and Biology, Karshi State University, Karshi, Uzbekistan
School of New Energy and Materials
State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation
Department of Chemistry
Department of Chemistry
Department of Environmental Science Nagaland University
Department of Chemistry
Al-Farabi Kazakh National University
Faculty of Chemistry
Western Caspian University
Faculty of Chemistry and Biology
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