Table 1.

Summary of photophysical and electrochemical measurements for PCs 1–7.

PC	λmax,abs .(nm)[a]	ε (M−1cm−1)	λmax,S1 em. (nm)[b]	Φf (%)	ES1,exp. (eV)[c]	ET1,calc. (eV)[d]	ET1,77 K (eV)[c,e]	E1/2 (2PC●+/1PC) (V vs. SCE)[f]	E0*S1,exp. (2PC●+/1PC*) (V vs. SCE)[g]	E0*T1,exp. 77 K (2PC●+/3PC*) (V vs. SCE)[e,g]	E0*T1,calc. (2PC●+/3PC*) (V vs. SCE)[d]
1	361	46,300	487	0.3	2.55	2.41	2.34	0.76	−1.79	−1.58	−1.86
2	340	38,600	509	0.1	2.44	2.36	2.33	0.71	−1.73	−1.62	−1.94
3	382	44,300	458	83	2.71	2.43	2.39	0.90	−1.81	−1.49	−1.69
4	360	49,800	453	3.8	2.74	2.30	2.34	0.77	−1.98	−1.57	−1.77
5	361	31,500	443	27	2.80	2.29	2.35	0.76	−2.04	−1.59	−1.75
6	363	43,100	444	70	2.79	2.28	2.34	0.75	−2.04	−1.59	−1.78
7	355	50,100	535	8.2	2.32	2.39	2.37	0.82	−1.50	−1.55	−1.78

^[a]Absorption wavelength measured using ultraviolet-visible spectroscopy in DMF.

^[b]Emission wavelength measured using steady-state fluorescence spectroscopy in DMF.

^[c]Energies were calculated using the maximum wavelength of emission.

^[d]DFT calculations performed at uM06/6–311+Gdp/uM06/6–31+Gdp level of theory with CPCM-described solvation in aqueous solvent.

^[e]Spectral emission measured at 77 K after 1 ms gate-delay.

^[f]All measurements were performed in a 3-compartment electrochemical cell with an Ag/AgNO₃ reference electrode in MeCN (0.01 M) and 0.1 M NBu₄PF₆ electrolyte solution with DMF analyte solution. Platinum was used at the working and counter electrodes.

^[g]Excited-state redox potentials were calculated using energies estimated from the maximum wavelength of singlet or triplet emission and the experimentally measured E_1/2; E^0*_S1,exp.= E_1/2 − E_S1,exp. and E^0*_{T1, exp. 77K} = E_1/2 − E_T1,77K.