Complexes | Binding mode | Orbital interaction | E(2)/kJ∙mol−1 | WBI | qCT/e |
1 (H3GeF + benzene) | I | π(C=C)→σ*(F-Ge) | 10.8 | 0.0146 | 0.0128 |
2 (H3GeF + pyridine) | I | π(C=C)→σ*(F-Ge) | 8.3 | 0.0104 | 0.0087 |
3 (H3GeF + pyridine) | II | LP(N)→σ*(F-Ge) | 81.5 | 0.1207 | 0.0657 |
4 (H3GeF + pyrrole) | I | π(C=C)→σ*(F-Ge) | 18.7 | 0.0238 | 0.0227 |
5 (H3GeF + furan) | I | π(C=C)→σ*(F-Ge) | 17.7 | 0.0184 | 0.0173 |
6 (H3GeF + furan) | II | LP(O)→σ*(F-Ge) | 16.1 | 0.0236 | 0.0147 |
7 (H3GeF + thiophene) | I | π(C=C)→σ*(F-Ge) | 14.6 | 0.0167 | 0.0179 |
8 (H3GeF + thiophene) | II | LP(S)→σ*(F-Ge) | 17.4 | 0.0358 | 0.0266 |