Calculated energy of HOMO/LUMO and energy gaps for pyrene and 2,7-diazapyrenes^a.

Compound	HOMO, eV	LUMO, eV	ΔE, eV
			3.8445b
			3.8658
			3.5648
			3.6016
			3.5324
			3.6042
			1.0514
			1.1159

^aBased on B3LYP/6-311G* functional in the gas phase according to ref. 27–30.

^bFrom the ref. 31.