. 2023 May 1;14(21):5734–5742. doi: 10.1039/d2sc06939c

Quantified properties of diaryl-HTIs 1–10.

Diaryl-HTI	ΔG_E_→_Z^‡ [kcal mol⁻¹]	ΔG [kcal mol⁻¹] (at T)	t ^{eq. 23 °C} ^d	Isomer % in PSS (at LED nm)	λ _max [nm] and ε_max [L mol⁻¹ cm⁻¹] of Z/E isomers' lowest energy absorption band	Δλ_max [nm] and Δε_max [L mol⁻¹ cm⁻¹] of E and Z isomers	Φ _{Z to E}/Φ_{E to Z}
1	—	—	—	—	509; 14 200^a	—
1	—	—	—	—	526; 16 800^b	—
2	25.7^a	0.2 (50 °C)^a	12 d^a	76% E (450 nm)^a	473; 19 300^a	45; 4200^a	3%^a
	25.7^a	0.2 (50 °C)^a	12 d^a	96% Z (617 nm)^a	518; 15 100^a	45; 4200^a	3%^a
	28.3^b	0.3 (100 °C)^b	3 a^b	75% E (470 nm)^b	490; 22 900^b	48; 8800^b	11%^a
	28.3^b	0.3 (100 °C)^b	3 a^b	97% Z (617 nm)^b	538; 14 100^b	48; 8800^b	11%^a
3	23.2^a	1.0 (40 °C)^a	4 h^a	75% E (450 nm)^a	496; 21 100^a	27; 7700^a	3%^a
	23.2^a	1.0 (40 °C)^a	4 h^a	97% Z (617 nm)^a	523; 13 400^a	27; 7700^a	3%^a
	27.7^b	1.6 (90 °C)^b	1 a^b	77% E (470 nm)^b	493; 21 800^b	46; 6000^b	3%^a
	27.7^b	1.6 (90 °C)^b	1 a^b	96% Z (617 nm)^b	539; 15 800^b	46; 6000^b	3%^a
4	27.8^b	0.5 (90 °C)^b	1 a^b	49% Z (490 nm)^c	444; 6300^c	6; 580^c	11%^c
				69% E (420 nm)^c	438; 6800^c	6; 580^c	11%^c
				55% Z (490 nm)^b	447; 5600^b	7; 940^b	6%^c
				64% E (420 nm)^b	440; 6600^b	7; 940^b	6%^c
5	—	—	—	—	440; 5200^a	—
5	—	—	—	—	440; 5600^b	—
6	—	—	—	—	517; 14 800^a	—
6	—	—	—	—	486; 16 800^b	—
7	23.9^a	0.3 (40 °C)^a	14 h^a	75% E (450 nm)^a	480; 20 800^a	45; 7800^a	6%^a
	23.9^a	0.3 (40 °C)^a	14 h^a	97% Z (617 nm)^a	525; 13 000^a	45; 7800^a	6%^a
	22.8^b	0.3 (30 °C)^b	2 h^b	79% E (470 nm)^b	496; 21 200^b	49; 6600^b	5%^a
	22.8^b	0.3 (30 °C)^b	2 h^b	94% Z (617 nm)^b	545; 14 600^b	49; 6600^b	5%^a
8	24.0^a	0.9 (30 °C)^a	16 h^a	83% E (470 nm)^a	486; 21 100^a	46; 7300^a	4%^a
	24.0^a	0.9 (30 °C)^a	16 h^a	98% Z (625 nm)^a	532; 13 800^a	46; 7300^a	4%^a
	24.5^b	0.9 (40 °C)^b	38 h^b	78% E (470 nm)^b	499; 20 400^b	56; 7600^b	4%^a
	24.5^b	0.9 (40 °C)^b	38 h^b	96% Z (650 nm)^b	555; 12 800^b	56; 7600^b	4%^a
9	25.6^b	0.4 (60 °C)^b	16 d^b	49% E (490 nm)^a	426; 4700^a	0; 1180^a	5%^a
				71% Z (435 nm)^a	426; 5800^a	0; 1180^a	5%^a
				52% E (505 nm)^b	424; 5100^b	0; 1290^b	3%^a
				69% Z (420 nm)^b	424; 6400^b	0; 1290^b	3%^a
10	—	—	—	—	426; 4900^a	—
10	—	—	—	—	422; 4500^b	—

In toluene-d₈.

In DMSO-d₆.

In benzene-d₆.

Linearly extrapolated to 23 °C.