Table 3. Excited State Energies for the Derivatives of 2-Pyridone^a.

compound	E(S1)vert	E(S1)S1	E(Tn)S1	E(T1)vert	E(S1)T1	E(Tn)T1
PyPhCz	3.77 (0.36) [3.65]	3.28 (0.38) [3.11]	2.30 (n = 1)	2.73	3.67	2.59 (n = 1)
			3.00 (n = 2)			2.73 (n = 2)
			3.24 (n = 3)			3.07 (n = 3)
						3.43 (n = 4)
PyPhDMAC	3.36 (10–4)	2.92 (10–3) [2.89]	2.30 (n = 1)	2.73	3.11	1.99 (n = 1)
			2.91 (n = 2)			3.10 (n = 2)
PyPhPTZ	3.41 (5 × 10–4)	2.654 (4 × 10–4) [2.65]	2.29 (n = 1)	2.73	2.58	1.94 (n = 1)
			2.41 (n = 2)			2.73 (n = 2)
			2.648 (n = 3)			2.98 (n = 3)
PyPhPXZ	3.09 (2 × 10–4)	2.579 (4 × 10–4) [2.63]	2.30 (n = 1)	2.73	2.84	1.99 (n = 1)
			2.54 (n = 2)			2.77 (n = 2)
			2.577 (n = 3)			2.82 (n = 3)

^aCalculated by the TDDFT/LC-ωPBE/6-31G(d) method (ω = 0.14; PCM model was used for accounting of toluene solvent effect). Experimental references are presented in parentheses.