Computed energies (E) for compounds 6a–d^a.

6a			6b			6c			6d
MO	Energy	ΔE	MO	Energy	ΔE	MO	Energy	ΔE	MO	Energy	ΔE
HOMO	−6.6	3.93	HOMO	−6.8	3.91	HOMO	−10.6	4.10	HOMO	−6.5	3.91
LUMO	−2.6		LUMO	−2.9		LUMO	−6.5		LUMO	−2.6
HOMO−1	−7.2	4.8	HOMO−1	−7.3	4.7	HOMO−1	−10.7	5.10	HOMO−1	−7.2	4.78
LUMO+1	−2.4		LUMO+1	−2.5		LUMO+1	−5.6		LUMO+1	−2.4
HOMO−2	−7.7	6.23	HOMO−2	−7.9	6.24	HOMO−2	−11.2	6.10	HOMO−2	−7.6	6.291
LUMO+2	−1.5		LUMO+2	−1.7		LUMO+2	−5.2		LUMO+2	−1.4

^a E = energy; ΔE (eV) = E_LUMO − E_HOMO; HOMO, highest occupied molecular orbital; LUMO, lowest unoccupied molecular orbital; MO, molecular orbital.