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Two 3-chloromethylcoumarins synthesized  via  the Baylis-Hillman reaction have been investigated for their ability to inhibit corrosion of mild steel in 2.0 M HCl. The inhibition efficiency was evaluated by gravimetric and electrochemical methods. Inhibition efficiency was found to increase with increase in concentration of the 3-chloromethylcoumarins. Kinetics, thermodynamics and adsorption equilibrium of the corrosion of steel in the acid and acid-containing 3-chloromethylcoumarins media were investigated. The results showed that the inhibitive actions of the compounds occurred as a result of adsorption of 3-chloromethylcoumarins molecules on mild steel surface. 3-Chloromethyl-8-ethoxycoumarin  4a  showed higher inhibition efficiencies than 6-chloro-3-chloromethylcoumarin  4b , especially at low concentrations and temperatures. Physical adsorption was predicted based on decreasing surface coverage of the inhibitor molecules with increase in temperature. The studied 3-chloromethylcoumarins behaved as mixed-type corrosion inhibitors for mild steel in 2 M HCl. The higher electron-donating ability and lower energy gap of  4a  compared to  4b , as derived from computational studies suggest that  4a  has higher potentials to inhibit steel corrosion in HCl than  4b . Similar trend was reflected in the Monte Carlo simulations adsorption energies.

Effect of selected 3-chloromethylcoumarin derivatives on mild steel corrosion in acidic medium: experimental and computational studies