Electrochemical^a and thermogravimetry^b data of Ir(iii) complexes.

Complex	E ox c/V vs. Fc+/0	E red c/V vs. Fc+/0	E g d/eV	HOMOe/LUMOf/eV	T d 98/°C
tmpi-CN	(0.64)	—	3.75	−5.44/−1.69	350
pmp-CN	(0.67)	—	3.46	−5.47/−1.97	368
dfpypy-CN	0.77	−2.53	3.07	−5.57/−2.50	355
dfppy-Br	0.55	(−2.57)	2.88	−5.35/−2.47	338
dfppy-CN	0.72	−2.66; (−2.59)	3.12	−5.52/−2.40	361
dfppy-OCN	0.57	(−2.61)	2.88	−5.37/−2.49	299
ppy-Br	0.43	(−2.68)	2.78	−5.23/−2.45	335
ppy-CN	0.59	−2.74; (−2.67)	2.97	−5.39/−2.42	372
ppy-OCN	0.44	(−2.67)	2.75	−5.23/−2.48	238
thpy-Br	0.42	(−2.63)	2.79	−5.32/−2.53	347
thpy-CN	0.61	(−2.69)	2.84	−5.41/−2.57	359
thpy-OCN	0.43	(−2.69)	2.79	−5.33/−2.54	306
piq-Br	0.44	−2.31	2.48	−5.24/−2.76	362
piq-CN	0.60	−2.29	2.69	−5.40/−2.71	376
piq-OCN	0.45	−2.29	2.48	−5.25/−2.77	343
lpt-CN	(0.56)	−2.40	2.66	−5.36/−2.70	250
Tabt-CN	0.69	−2.33	2.66	−5.49/−2.83	382

^aSupporting electrolyte: 0.1 M ⁿBu₄NPF₆ in CH₂Cl₂ and values are recorded vs. SCE; Fc^+/0 occurs in the range of 0.48–0.51 V vs. SCE; scan rate: 100 mV s⁻¹.

^b2% weight loss in TGA measurements.

^cThe values are reported versus Fc^+/0; values without parentheses refer to E_1/2 for reversible couples and with parentheses refer to the onset of the redox peak potential for the quasi/irreversible waves.

^d E _g = 1240/λ_onset (UV).

^eHOMO = −e(E_ox + 4.8).

^fLUMO = E_g + HOMO.