Table 1 Physical properties of DBSO derivatives.

Compound	Absorption (nm)	Emission (nm)	S₁ (eV)	T₁ (eV)	T_g/T_m/T_d (^oC)	HOMO (eV)	LUMO (eV)	RE^g (eV)	μ_e^h (cm²/V/s)
DBSO	324, 291, 278, 269, 242, 234, 228^a, 337, 283, 205^b	358^a 402^b	3.60^c 4.85^d	3.00^e 2.86^d	−/−/207	−6.56^f −6.67^d	−3.08^f −1.82^d	0.4261	−
2DBSODPO	330, 282, 249, 240, 227^a, 335, 294, 285, 275, 254^b	371^a 381^b	3.51^c 4.77^d	2.98^e 2.82^d	151/221/367	−7.10^f −6.76^d	−3.29^f −1.99^d	0.5505	3.96 × 10⁻³
3DBSODPO	325, 298, 285, 249, 241, 228^a, 334, 303, 290, 277, 255, 246^b	365^a 378^b	3.53^c 4.71^d	2.99^e 2.80^d	−/−211/373	−7.05^f −6.74^d	−3.31^f −2.03^d	0.5075	3.69×10^-3
4DBSODPO	332, 282, 228^a 335, 296, 282, 253^b	371^a 375^b	3.51^c 4.85^d	2.97^e 2.87^d	−/−262/375	−7.09^f −6.63^d	−3.14^f −1.78^d	0.5291	1.45 × 10⁻³

^aIn CH2Cl2 (10–6 mol L-1);
^bin film;
^cestimated according to the absorption edges;
^dDFT calculated results;
^ecalculated according to the 0–0 transitions of the phosphorescence spectra;
^fcalculated according to the equation HOMO/LUMO = 4.78 + onset voltage⁶⁰;
^greorganization energy of electron;
^helectron mobility estimated by I-V characteristics of electrononlydevices according filed-dependent SCLC model⁶¹.

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