| Compound |
EHOMO (a.u.) |
ELUMO (a.u.) |
ΔE (a.u.) |
χ (a.u.) |
η (a.u.) |
σ (a.u.)-1 |
Pi (a.u.) |
S (a.u.)-1 |
ω (a.u.) |
∆Nmax |
| Cyclic form (A) |
-0.211 |
-0.092 |
0.119 |
0.151 |
0.059 |
16.731 |
-0.151 |
8.365 |
0.192 |
2.532 |
| Schiff base form (B) |
-0.231 |
-0.148 |
0.083 |
0.189 |
0.042 |
24.041 |
-0.189 |
12.021 |
0.095 |
4.558 |
|
