The imidazolium-based ionic liquids (ILs) were widely recognized as the eco-friendly corrosion inhibitors. Many literatures focused on enhancing the corrosion inhibition efficacy via the modification of various functional groups to ILs. The present study investigated the corrosion resistance performance of the novel synthesized tripodal IL ([(C4im)3TA][Cl3]) with a triazine spacer and three imidazolium cations for mild steel (MS) in 1 M HCl solution. The inhibition efficiencies of [(C4im)3TA][Cl3] at the concentrations of 0.1 mM (55.7 ppm, 80 %) and 0.5 mM (278.5 ppm, 86 %) were found to be comparable to, and higher than that of conventional imidazolium-based ILs 1‑butyl‑3-methylimidazolium chloride (C4mimCl) at 10 mM (1747 ppm, 81 %), respectively. The adsorption behavior of [(C4im)3TA][Cl3] at the metal surface was reflected through X-ray photoelectron spectroscopy, and the adsorption mechanism was further investigated using quantum chemical calculations and molecular dynamics simulations. The results indicated the greater ability of [(C4im)3TA][Cl3] to form chemical bonds with Fe atoms, which induced the generation of the more stable hydrophobic protection film at the surface. This study presented the novel concept for the structural design of high-efficiency corrosion inhibitors based on imidazolium ILs.
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