Table 2 The calculated inhibition efficiency % of benzimidazole (BI) and eight models
From: Quantum chemical assessment of benzimidazole derivatives as corrosion inhibitors
Molecules | Iadd.% | Ieadd.% | Inhibition efficiency % | |
|---|---|---|---|---|
Theoretical (Ietheor.) | Experimental | |||
BI | 0 | 0 | 73.800 | 73.8 |
4-NO2-BI | -13.178 | -9.725 | 64.075 | ---- |
4-NH2-BI | +10.422 | +7.691 | 81.491 | ---- |
5-NO2-BI | -12.872 | -9.500 | 64.300 | ---- |
5-NH2-BI | +14.724 | +10.866 | 84.666 | ---- |
6-NO2-BI | -12.358 | -9.120 | 64.680 | ---- |
6-NH2-BI | +14.839 | +10.951 | 84.751 | ---- |
7-NO2-BI | -12.138 | -8.958 | 64.842 | ---- |
7-NH2-BI | +16.002 | +11.809 | 85.609 | ---- |