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Table 6 Calculated inhibition efficiency % for 2-mercaptobenzimidazole (2-SH-BI) and eight models

From: Quantum chemical assessment of benzimidazole derivatives as corrosion inhibitors

Molecules Iadd.% Ieadd.% Inhibition efficiency %
Theoretical (Ietheor.%) Experimental
2-SH-BI 0 0 90.1 90.1
4-NO2-2-SH-BI -10.264 -9.248 80.852 ----
4-NH2-2-SH-BI +5.240 +4.721 94.821 ----
5-NO2-2-SH-BI -12.079 -10.883 79.217 ----
5-NH2-2-SH-BI +12.522 +11.282 101.382 ----
6-NO2-2-SH-BI -11.165 -10.060 80.040 ----
6-NH2-2-SH-BI +11.183 +10.076 100.176 ----
7-NO2-2-SH-BI -9.9407 -8.950 81.150 ----
7-NH2-2-SH-BI +11.537 +10.394 100.494 ----