Fig. 3

Compound-1’s quantum description: ΔE is 0.13272 eV. Compound-1 is shown in the ground state (EHOMO) in (B) and in the excited state (ELUMO) in (A). (It was made using the Gauss View 6.0 software).
Compound-1’s quantum description: ΔE is 0.13272 eV. Compound-1 is shown in the ground state (EHOMO) in (B) and in the excited state (ELUMO) in (A). (It was made using the Gauss View 6.0 software).