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
Table 4: The calculated quantum chemical parameters for H2L.