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