Table 1. Theoretical (th.) and experimental (exp.) data for the characterization of the spectroscopic and electronic properties of the merocyanine DCBT in solvents of different polarity. See text for definitions of all quantities.

Solvent	ΔE/eV	|μeg|/D		C/eV	E A/eV	γ a /cm–1	ω a /cm–1		ω b /cm–1		k r/108 s–1		k nr/108 s–1			τ fl/ns	Φfl/%
		Exp.	Th.				TS1	TS2	TS1	TS2	Exp. b	Th.	Exp. b	Theory		Exp.	Exp.	Th.
														k harm ic	k CI ic
MCH	2.69	9.73	14.0	0.60	0.30	1047	117	210	344	401	>0.7 c	10.5	>71 c	0.0012	27 600	<0.2	1	0
Tol	2.65	9.04	14.2	0.66	0.32	845	117	228	359	395	1.8	11.4	44	0.0053	14 000	0.22	4	0.1
CHCl3	2.50	9.73	14.8	0.81	0.42	566	116	228	386	362	2.5	9.70	14	0.18	557	0.59	15	2
CH2Cl2	2.42	10.8	15.2	0.88	0.48	573	117	231	395	225	1.9	9.02	9.3	0.52	41.4	0.89	17	18
MeCN	2.34	9.78	15.5	0.98	0.58	886	116	230	363	181	2.4	7.56	3.2	5.38	0.80	1.78	43	55
DMSO	2.34	11.1	15.5	0.99	0.59	3641	116	230	333	175	2.9	9.18	1.4	6.05	0.22	2.32	67	60

^aDetails for the calculation of the friction coefficients are shown in ESI.

^bObtained from TCSPC and fluorescence quantum yield measurements.

^cThese radiative and non-radiative rate constants are only a lower limit, as the fluorescence lifetime is below the instrument response time of the TCSPC setup.