Computational, Kinetics, and Corrosion Protection Aspects of Electrodeposited Poly(Salicylic Acid) Coatings as a Corrosion Inhibitor for Mild Steel

Table 7

Electronic and molecular properties of SA and PSA calculated in PCM model at the B3LYP/6-31G (d) level of theory.

	SA	PSA
Ionization potential, IP (eV)	6.34	6.44
Electron affinities, EA (eV)	1.50	1.70
Gap energy (eV)	4.84	4.74
χ (eV)	3.92	4.07
η (eV)	2.42	2.37
S (eV)	0.21	0.21
ω (eV)	3.18	3.50
∆N	0.64	0.62
DM (Debye)	2.80	7.68
Corrosion inhibition efficiency	47%	74%