Study of New Thiazole Based Pyridine Derivatives as Potential Corrosion Inhibitors for Mild Steel: Theoretical and Experimental Approach

Table 8

List of quantum chemical parameters.

Quantum chemical parameters	2-MTPH	3-MTPH	4-MTPH
(eV)	9.690	−7.7998	−7.7473
(eV)	10.087	2.165	2.119
(eV)	0.3971	9.9647	9.8473
Dipole moment (debyes)	3.2405	3.0251	3.2778
Ionisation potential	−9.690	7.998	7.8475
Hardness of the molecule ()	0.3971	4.9823	4.9831
Softness ()	2.5178	0.2007	0.2006