Table 2.

Summary of photophysical (absorption maximum λ_max^abs, fluorescence maximum λ_max^flu, extinction coefficient ε, fluorescence quantum yield Φ_f) and electrochemical data (oxidation potential E_ox, and reduction potential E_red). Data of absorbers^a relate to the structural patterns I–V. Supporting Information File 1 gives information of the electrochemical measurements (data were taken in CH₃CN), and the determination of photophysical data. The latter complements previously published data [5–6] helping to receive a more completed pattern about these NIR absorbers.

#	λmaxabs (nm)	λmaxflu (nm)	Φf (%)	ε (105 × M−1 cm−1)	solvent	Eox (V)	Ered (V)	Reference
1	758	777	0.5	1.26	MeOH			b
2	858	877	0.3	2.09	MeOH	0.73	−0.27	b
3	916				MeOH			b
4	946	986	0.1	2.07	MeOH	0.69	−1.01	[5]
5	973			2.08	MeOH			b
6	995	c	0.001	1.76	MeOH	0.61	−0.25	[5]
7	1024				MeOH			b
8	1024				MeOH			b
9	997				MeOH			b
10	997		0.001	2.23	MeOH	0.66	−0.34	[5]
11	1014				MeOH			b
12	746	774	26	2.80	MeOH			b
13	752 748	781 774	25 15	2.40	MeOH H2O			b
14	766	784	20	3.04	MeOH			b
15	768	786	19	2.43	MeOH			b
16	740	766	19	2.22	MeOH			b
17	657	783	19	1.29	MeOH			b
18	760	778	19	3.28	MeOH			b
19	767 759	785 778	19 9	3.02 2.26	MeOH H2O			b
20	761	779	18	2.41	MeOH			b
21	744	765	18	2.08	MeOH			b
22	772 769	790 789	17 7	1.61 1.38	MeOH H2O			b
23	790	812	16	3.13	MeOH			b
24	792	815	16	2.88	MeOH	0.49	−1.11	[5]
25	790	812	15	2.63	MeOH			b
26	777	800	15	3.58	MeOH	0.40	−0.80	[5]
27	784	806	15	3.00	MeOH			b
28	755	772	15	2.79	MeOH			b
29	784	806	14	2.57	MeOH			b
30	763	781	14	2.34	MeOH			b
31	796	817	14	2.98	MeOH			b
32	796 790	818 813	13 6	2.84 2.30	MeOH H2O			b
33	763	787	13	3.15	MeOH	0.47	−0.87	[5]
34	811	834	13	3.17	MeOH	0.42	−0.87	[5]
35	794	818	13	2.60	MeOH			b
36	792		d	2.41	MeOH	0.57	−0.60	[5]
37	d	b	d			d	d	[6]
38	795	821	13	2.00	MeOH			b
39	796	819	11	1.57	MeOH	d	d	b
40	796 786	824 818	11 2	2.14 1.72	MeOH H2O	d	d	b
41	796		11	1.63	MeOH	0.60	−0.57	[5]
42	788	810	11	2.44	MeOH	d	d	b
43	759	781	11	2.92	MeOH	d	d	b
44	804	823	11	2.39	MeOH			b
45	789 782	807 800	11 5	2.49 2.15	MeOH H2O			b
46	773	797	10	1.97	MeOH	0.68	−0.50	[5]
47	756	778	10	2.62	MeOH	0.41	−0.86	[5]
48	791	811	10	2.76	MeOH	0.48	−0.97	[5]
49	759 760	781 780	10 6	2.17 1.70	MeOH H2O	d	d	b
50	790 790	811 811	10 6	1.96 1.50	MeOH H2O	d	d	b
51	791	810	10	2.80	MeOH	d	d	b
52	812	831	10	2.66	MeOH	d	d	b
53	806	825	10	2.66	MeOH	d	d	b
54	782	801	10	2.63	MeOH	d	d	b
55	781	800	10	3.07	MeOH	0.68	−0.50	[5]
56	813 804	832 824	9 4	2.41 2.27	MeOH H2O	d	d	b
57	790	807	9	2.89	MeOH	d	d	b
58	788	807	9	2.57	MeOH	d	d	b
59	784	819	9	2.33	MeOH			b
60	791	809	9	2.81	MeOH			b
61	820	842	8	2.78	MeOH	d	d	b
62	753	774	8	2.72	MeOH	d	d	b
63	775	792	7	2.37	MeOH	d	d	b
64	787	810	7	2.41	MeOH	0.75	−0.49	[5]
65	793	815	7	2.77	MeOH			b
66	795 788	819 814	7 3	2.33	MeOH H2O			b
67	801 794	824 818	6 3	2.46 2.04	MeOH H2O			b
68	827 819	850 842	6 3	2.24 2.29	MeOH H2O			b
69	781	799	6	2.51	MeOH			b
70	765 766	786 785	6 6	2.33 2.18	MeOH H2O			b
71	765	785	6	2.55	MeOH			b
72	745	791	6	1.66	MeOH			b
73	745	791	5	0.12	MeOH			b
74	798	816	5	2.13	MeOH			b
75	775 767	797 789	4 3	2.42 1.98	MeOH H2O			b
76	768	787	4	2.70	MeOH			b
77	763	785	3	2.60	MeOH			b
78	799	817	3	2.26	MeOH			b
79	813	d	d	1.62	MeOH	d	d	b
80	810	d	d	d	MeOH	d	d	b
81	807	d	d	2.40	MeOH	0.52	−0.52	[5]
82	809	d	d	2.13	MeOH	0.64	−0.52	[5]
83	844		d	1.35		0.56	−0.57	[5]
84	785	803	2	2.93	MeOH	0.67	−0.51	[5]
85	744	800	2	1.43	MeOH			b
86	739 731	795 788	1 0.1	1.01 0.90	MeOH H2O			b
87	736	795	0.8	1.10	MeOH			b

^aFEW Chemicals GmbH provided those materials as samples, which were not previously investigated. ^bData were taken in this work to complement previously published data [5–6]. See Supporting Information File 1 for experimental details. ^cNot possible to determine. ^dNot determined due to similarity of above explored cyanine pattern, similar quantity was expected.