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 | ---- |