The data summary of photophysical, electrochemical and thermal properties of the new DR-NIR-emitting Ir(iii) complexes.

Ir	UV-absorption (ε) [nm] ([103 M−1 cm−1])	PL [nm]	PLQY [%]	τ [μs]	k r d [105 s−1]	k nr d [105 s−1]	HOMO [eV]	LUMO [eV]	E T g [eV]	T dec h [°C]
CNIr	305 (21.1), 359 (17.3), 457 (4.8), 526 (4.5), 591 (3.6), 650 (1.7)	696a, 681b, 699c	16 ± 1a, 45 ± 1c	0.14a, 19.82b, 0.30c	15.0	18.3	−5.50e, −5.65f	−3.74e, −2.92f	1.82	347
TCNIr	312 (21.2), 372 (24.4), 460 (7.2), 516 (7.8), 586 (11.2), 678 (0.9)	708a, 694b, 708c	6 ± 1a, 44 ± 1c	0.15a, 18.74b, 0.83c	5.3	6.8	−5.53e, −5.70f	−3.81e, −2.89f	1.79	273

^aMeasured in THF at room temperature with the concentration of Ir(iii) phosphor at 10⁻⁴.

^bMeasured at 77 K with the concentration of Ir(iii) phosphor at 10⁻⁴ M.

^cMeasured in films (15 wt% phosphors in CBP) at room temperature.

^dCalculated by using the equations of (k_r + k_nr) = 1/τ and PLQY = k_r/(k_r + k_nr) and these values are for films.

^eEnergy levels estimated from CV curves.

^fEnergy levels estimated from the DFT calculation results.

^gThe triplet energy level (E_T) was estimated from the emission maxima of the PL spectra at 77 K.

^hOnset decomposition temperature at 5% degradation measured by thermogravimetric analysis.