The phosphorescence quantum yield and traditional decay rates in the considered complexes 1–5 determined at the TD-DFT level of theory.

Complex	SOC (cm−1)	T1 (eV)	S1 (eV)	ΔES1–T1 (eV)	k r ×106 (s−)	k nr ×103 (s−)	Φ (%)
1	184	2.67	3.14	0.47	22.4	0.93	99
2	827	2.71	3.23	0.52	47.4	0.73	99
3	65	2.27	2.29	0.02	29.5	2.49	97
4	656	2.65	3.17	0.52	20.0	1.06	98
5	835	2.67	3.16	0.49	26.1	1.44	98