Table 4. Stabilizing Energies E(2) Associated with Electron Delocalization between Donor P Centers and Acceptor B Centers in 1c–5c.

compound	donor	occupancy	acceptor	occupancy	E(2) (kcal/mol)
1c	LP(P1)	1.71	LP*(B1)	0.65	14.97
	LP(P2)	1.71			15.14
	LP(P3)	1.71			15.04
2c	LP(P1)	1.89	σ*(P3–B1)	0.05	8.66
	LP(P2)	1.90	σ*(P1–B1)	0.05	7.65
3c	LP(P1)	1.89	σ*(P3–B1)	0.05	8.98
	LP(P2)	1.90	σ*(P1–B1)	0.05	8.32
4c	LP(P1)	1.89	σ*(P3–B1)	0.06	9.92
	LP(P2)	1.90	σ*(P1–B1)	0.05	7.87
4c′	LP(P1)	1.76	LP*(B1)	0.61	17.83
	LP(P2)	1.74			20.93
	LP(P3)	1.74			19.18
5c	LP(P1)	1.84	LP*(B1)	0.64	3.06
	LP(P2)	1.64			29.33
	LP(P3)	1.66			28.16