Table 5. DOS Calculation Representing the Percentage Participation of Donors, π-Spacers, and Acceptors of Designed and DF-R in Developing the HOMO and LUMO.

molecules	energy states	donor (%)	π-spacer (%)	acceptor (%)
DF-R	HOMO	75.9		24.1
	LUMO	47.7		52.3
DF-M1	HOMO	44.1	26.5	29.4
	LUMO	25.9	59.0	15.2
DF-M2	HOMO	50.6	25.4	24.1
	LUMO	25.9	57.9	16.2
DF-M3	HOMO	80.0	14.1	5.9
	LUMO	19.8	49.3	31.0
DF-M4	HOMO	68.3	17.1	14.6
	LUMO	23.3	23.0	53.8
DF-M5	HOMO	60.2	22.9	16.9
	LUMO	31.6	28.3	40.2
DF-M6	HOMO	70.1	16.3	13.6
	LUMO	24.4	22.8	52.8