Table 2
- Most significative frontier electron density values for Anion B
|
Atom |
frE HOMO |
Atom |
frN LUMO |
|
N14 |
0.267 |
C1 |
0.150 |
|
N23 |
0.104 |
C2 |
0.254 |
|
C25 |
0.361 |
C3 |
9.84 10-2 |
|
N27 |
0.105 |
C5 |
0.301 |