| RuCl2(Azpy)2 | RuCl2(Dazpy)2 | RuCl2(Mazpy)2 | RuCl2(Nazpy)2 | RuCl3・3H2O | |||||
| γ-Cl | δ-Cl | γ-Cl | δ-Cl | γ-Cl | δ-Cl | γ-Cl | δ-Cl | ||
| HOMO | −123.6 | −121.0 | −121.6 | −118.6 | −126.6 | −122.3 | −128.0 | −130.5 | −153.2 |
| LUMO | −77.2 | −79.5 | −70.9 | −74.7 | −75.6 | −78.4 | −82.2 | −86.0 | −95.7 |
| ΔEa | 46.4 | 41.5 | 50.7 | 43.9 | 51.0 | 43.9 | 45.8 | 44.5 | 57.5 |
| η | −23.2 | −20.75 | −25.3 | −21.9 | −25.5 | −21.9 | −22.9 | −22.2 | −28.7 |
| μ | −100.4 | −100.25 | −96.2 | −96.6 | −101.1 | −100.3 | −105.1 | −108.2 | −124.4 |