Table 4. Molecular electrostatic potential values for the HB/XB donors.
| Donor ligand | Hydrogen atom (kJmol1) | Halogen atom (kJmol1) |
|---|---|---|
| IF4-COOH | 301.5 | 167.1 |
| BrF4-COOH | 288.3 | 139.1 |
| I-COOH | 266.9 | 112.8 |
| Br-COOH | 273.7 | 87.3 |
| IF4-OX | 273.8 | 158.9 |
| BrF4-OX | 279.0 | 127.8 |
| I-OX | 256.1 | 100.6 |
| Br-OX | 258.7 | 77.2 |
| IF4-OH | 304.8 | 149.6 |
| BrF4-OH | 315.3 | 125.8 |