Correlation between the molecular structure and the corrosion inhibiting effect of some pyrophthalone compounds Original Research Article

Quantum chemical SCF calculations of the geometrical and electronic molecular structure of α- and γ-pyrophthalone compounds were performed. The correlation between molecular structure of these compounds and their inhibition efficiency in case of copper corrosion was found. It was established that the decrease of the ionisation potential and the increase of the molecular dipole moment favour the higher inhibition efficiency toward corrosion.