Table 1
- Most significative frontier electron density values for Anion A
Atom |
frE HOMO |
Atom |
frN LUMO |
N14 |
0.329 |
C1 |
0.250 |
N23 |
0.128 |
C2 |
0.245 |
C25 |
0.300 |
C4 |
0.132 |
N27 |
0.124 |
C5 |
0.207 |