| Donor?acceptora |
E2 |
E(j)-E(i) |
F(i,j) |
Donor ®acceptora |
E2 |
E(j)-E(i) |
F(i,j) |
| γ-RuCl2(Azpy)2 |
δ-RuCl2(Azpy)2 |
||||||
| (N1-N2)?π*(C1-Npy) |
16.23 |
0.33 |
0.074 |
π(N1-N2)?π*(C1-Npy) |
12.40 |
0.39 |
0.066 |
| LP(N2)?LP*(Ru) |
80.2 |
0.28 |
0.155 |
LP(N2)?LP*(Ru) |
63.49 |
0.30 |
0.141 |
| LP(Npy)?LP*(Ru) |
76.5 |
0.22 |
0.135 |
LP(Npy)?LP*(Ru) |
75.21 |
0.24 |
0.137 |
| LP(Ru)?π*(N1-N2) |
12.8 |
0.14 |
0.038 |
LP(Ru)?π*(N1-N2) |
14.07 |
0.14 |
0.04 |
| γ-RuCl2(Dazpy)2 |
δ-RuCl2(Dazpy)2 |
||||||
| (N1-N2) ?π*(C1-Npy) |
15.70 |
0.034 |
0.074 |
π(N1-N2)?π*(C1-Npy) |
12.25 |
0.39 |
0.066 |
| LP(N2)?LP*(Ru) |
82.43 |
0.28 |
0.157 |
LP(N2)?LP*(Ru) |
53.91 |
0.30 |
0.13 |
| LP(Npy)?LP*(Ru) |
65.83 |
0.21 |
0.123 |
LP(Npy)?LP*(Ru) |
73.16 |
0.24 |
0.134 |
| LP(Ru)?π*(N1-N2) |
12.77 |
0.14 |
0.038 |
LP(Ru)?π*(N1-N2) |
18.28 |
0.14 |
0.045 |
| γ-RuCl2(Mazpy)2 |
δ-RuCl2(Mazpy)2 |
||||||
| (N1-N2)?π*(C1-Npy) |
15.52 |
0.33 |
0.073 |
π(N1-N2)?π*(C1-Npy) |
13.73 |
0.33 |
0.069 |
| LP(N2)?LP*(Ru) |
75.9 |
0.29 |
0.152 |
LP(N2)?LP*(Ru) |
74.76 |
0.29 |
0.153 |
| LP(Npy)?LP*(Ru) |
72.47 |
0.23 |
0.132 |
LP(Npy)?LP*(Ru) |
71.16 |
0.23 |
0.133 |
| LP(Ru)?π*(N1-N2) |
10.10 |
0.15 |
0.035 |
LP(Ru)?π*(N1-N2) |
13.27 |
0.14 |
0.039 |
| γ-RuCl2(Nazpy)2 |
δ-RuCl2(Nazpy)2 |
||||||
| (N1-N2)?π*(C1-Npy) |
15.74 |
0.33 |
0.073 |
π(N1-N2)?π*(C1-Npy) |
11.87 |
0.39 |
0.065 |
| LP(N2)?LP*(Ru) |
72.59 |
0.28 |
0.147 |
LP(N2)?LP*(Ru) |
54.05 |
0.30 |
0.130 |
| LP(Npy)?LP*(Ru) |
79.80 |
0.23 |
0.136 |
LP(Npy)?LP*(Ru) |
83.44 |
0.24 |
0.144 |
| LP(Ru)?π*(N1-N2) |
9.72 |
0.15 |
0.034 |
LP(Ru)?π*(N1-N2) |
13.15 |
0.14 |
0.040 |