Halogeno-substituted indazoles against copper corrosion in industrial pickling process: a combined electrochemical, morphological and theoretical approach.

The inhibitive properties of four indazole-based compounds (IA, 4-FIA, 4-CIA, and 4-BIA) on copper corrosion in 0.5 M HSO solution were investigated using electrochemical measurements, surface characterization techniques and molecular modelling methods. Electrochemical tests indicate that the inhibition efficiencies increase with incremental concentration and all halogeno-substituted indazoles (HIAs) possess superior inhibitive ability to native IA. The specific rating of inhibition performance obeys the order: IA < 4-FIA < 4-BIA < 4-CIA. All inhibition efficiencies of HIAs obtained were over 96% in 1 mM, especially, 4-CIA reaches 99.6%. Moreover, the corresponding inhibition mechanism was elucidated quantum chemical calculations allied to molecular dynamics simulation. In summary, the present study can help us to gain insight into the effect of halogeno-substitution on the inhibition efficiency of the IA molecule.