Complex[a]
|
Complex[a]
|
Ligand |
ΔE, eV |
ΔE, eV |
WET, s-1
|
WBT, s-1
|
Q, % |
Q, % |
VVDP, Å3
|
R, Å |
G3
|
|
|
|
Theor. |
Exp. |
|
|
Theor. |
Exp.[47]
|
|
|
|
1 |
S0
|
- |
- |
- |
|
|
|
|
12.41 |
1.436 |
0.0817 |
|
T1
|
CPDK35
|
2.362 |
2.440[43]
|
2.04·107
|
2.28·102
|
15.0 |
11.0 |
13.25 |
1.468 |
0.0823 |
|
T1
|
Bpy17-17
|
2.790 |
2.870[44]
|
|
|
|
|
12.88 |
1.454 |
0.0813 |
2 |
S0
|
- |
- |
- |
|
|
|
|
12.44 |
1.437 |
0.0813 |
|
T1
|
CPDK35
|
2.385 |
2.440[43]
|
3.07·108
|
0.11·102
|
32.6 |
30÷32 |
13.33 |
1.471 |
0.0822 |
|
T1
|
Phen |
2.606 |
2.684[44]
|
|
|
|
|
12.92 |
1.455 |
0.0811 |
3 |
S0
|
- |
- |
- |
|
|
|
|
12.37 |
1.435 |
0.0828 |
|
T1
|
CPDK5-Th
|
2.192 |
2.260[8]
|
1.22·107
|
2.73·105
|
10.1 |
- |
13.24 |
1.465 |
0.0833 |
|
T1
|
Bpy17-17
|
2.803 |
2.870[44]
|
|
|
|
|
12.92 |
1.455 |
0.0824 |
4 |
S0
|
- |
- |
- |
|
|
|
|
12.39 |
1.435 |
0.0820 |
|
T1
|
CPDK5-Th
|
2.207 |
2.260[8]
|
5.82·107
|
1.08·105
|
24.1 |
20÷21 |
13.27 |
1.469 |
0.0828 |
|
T1
|
Phen |
2.617 |
2.684[44]
|
|
|
|
|
12.90 |
1.455 |
0.0817 |
5 |
S0
|
- |
- |
- |
|
|
|
|
12.40 |
1.436 |
0.0821 |
|
T1
|
CPDK3-Ph
|
2.311 |
2.380[43]
|
3.88·107
|
1.68·103
|
29.7 |
25÷27 |
12.93 |
1.456 |
0.0819 |
|
T1
|
Phen |
2.605 |
2.684[44]
|
|
|
|
|
12.89 |
1.455 |
0.0814 |
6 |
S0
|
- |
- |
- |
|
|
|
|
14.18 |
1.502 |
0.0812 |
|
T1
|
DK12-14
|
2.294 |
2.375[37]
|
6.42·107
|
3.71·105
|
17.1 |
20÷23 |
14.93 |
1.896 |
0.0838 |
|
T1
|
Bpy17-17
|
2.784 |
2.870[44]
|
|
|
|
|
14.56 |
1.701 |
0.0811 |