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Effect of the molecular structure of some quinones on their corrosion inhibiting action

The molecular characteristics obtained by quantum chemical self‐consistent field (SCF) calculations of a series of quinones are correlated with the experimentally determined inhibitor efficiency for mild steel corrosion in neutral aqueous medium. It was established that the decrease of the ionization potential and the increase of the dipole moment of the quinone molecules favor the higher protective effect. The electron density and the geometric molecular structure have also been computed and are discussed in view of the corrosion inhibition.