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Table 4 Calculated inhibition efficiency % for 2-methylbenzimidazole (2-CH 3 -BI) and eight models

From: Quantum chemical assessment of benzimidazole derivatives as corrosion inhibitors

Molecules Iadd.% Ieadd.% Inhibition efficiency %
Theoretical (Ietheor.%) Experimental
2-CH3-BI 0 0 76.300 76.3
4-NO2-2-CH3-BI -12.442 -9.493 66.807 ----
4-NH2-2-CH3-BI +9.240 +7.050 83.350 ----
5-NO2-2-CH3-BI -13.498 -10.299 66.001 ----
5-NH2-2-CH3-BI +14.464 +11.036 87.336 ----
6-NO2-2-CH3-BI -12.469 -9.514 66.786 ----
6-NH2-2-CH3-BI +14.199 +10.834 87.134 ----
7-NO2-2-CH3-BI -11.472 -8.753 67.547 ----
7-NH2-2-CH3-BI +14.999 +11.444 87.744 ----