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Abstract Aluminum corrosion inhibitors “{[CuI (CN)2(phen) CuII (CN)2(phen)]5H2O},(MOF1) and {[CuI(CN)2(phen)CuII(CN)2(phen)]5H2O}@TiO2 (MOF1@TiO2) were studied in one molar HCl solution”. The ML results for three different temperatures (25–45 °C) were compared with the results of PDP and EIS analyses. The adsorption of inhibitors on Al surfaces has been calculated and discussed by a Langmuir isotherm. The inhibitors that were created showed great effectiveness, with a noticeable increase in their inhibitory efficiency as the dosage was raised and the temperature was lowered. Inhibition efficiency each amounted to 88.6%, 84.5% at 400 ppm and 25 °C for MOF1@TiO2 and MOF1, respectively. Analyzing the polarization curves of synthesized inhibitors revealed that they were mixed-type inhibitors. Al was found to be surface inhibited when coated with a thin film of inhibitors, and “Al's surface morphology was assessed by different techniques such as scanning electron microscopy (SEM), energy dispersive X-ray (EDX) and atomic force microscope (AFM)”. “Theoretical models like quantum chemical and molecular dynamics simulation authenticated the experimental observation”. The MOFs exhibit exceptional corrosion resistance against Al when exposed to acidic environments, according to several tests.