Quantum Chemical and Spectroscopic Investigations of (Ethyl 4 hydroxy-3-((E)-(pyren-1-ylimino)methyl)benzoate) by DFT Method

Figure 4

HOMO/LUMO and HOMO−1/LUMO+1 energies of the title compound calculated at B3LYP level of theory using 6-311++G(2d, 2p) basis set.