Table 2. IE, EA, and Energy Difference Δ for Various Donor–Acceptor Pairs (See Figure 6 for the Definition of Feature Labels)^a.

donor–acceptor	IE (eV)	EA (eV)	Δ (eV)
D1–A1	4.9	2.6	2.3
D1–A2	4.9	1.5	3.4
D1–A3	4.9	2.9	2.0
D2–A1	4.8	2.6	2.2
D2–A2	4.8	1.5	3.3
D2–A3	4.8	2.9	1.9
D3–A1	3.2	2.6	0.6
D3–A2	3.2	1.5	1.7
D3–A3	3.2	2.9	0.3

^aThe calculated energy differences provide a thermodynamic measure of the possibility of charge transfer but the kinetic barriers could be higher.