Table 2.

Excitation energies, maximum wavelengths, oscillator strengths and % orbital contribution for HL, CH₃L and NO₂L compounds.

Compound	Spectral line number	Excitation energy (eV)	λmax (nm)	F	Type of transition	% orbital contribution
HL	1	3.318	373.7	0.3473	HOMO → LUMO	57.54
					HOMO → LUMO + 1	40.03
	2	3.473	357.0	0.1235	HOMO → LUMO	40.00
					HOMO → LUMO + 1	57.08
	3	3.640	340.6	0.002	HOMO-1 → LUMO	39.49
					HOMO-1 → LUMO + 1	55.83
CH3L	1	3.317	373.8	0.3600	HOMO → LUMO	56.59
					HOMO → LUMO + 1	41.26
	2	3.464	357.9	0.200	HOMO → LUMO	41.13
					HOMO → LUMO + 1	56.08
	3	3.646	340.1	0.0050	HOMO-1 → LUMO	0.3548
					HOMO-1 → LUMO + 1	51.10
NO2L	1	2.842	436.3	0.0580	HOMO → LUMO	70.43
	2	3.3537	369.7	0.1870	HOMO → LUMO + 1	36.18
					HOMO → LUMO + 2	59.71
	3	3.408	363.9	0.0030	HOMO-1 → LUMO	68.71
					HOMO-1 → LUMO + 1	13.34