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