Research data supporting "Mesitylated trityl radicals, a platform for doublet emission: symmetry breaking, charge-transfer states and conjugated polymers"

Compressed (.zip) folder containing data from normalized photoluminescence spectra of M3TTM and M2TTM-3PCz radicals and PFMTTM polyradical in 0.1 mM toluene solutions (Fig1c.xlsx); normalized steady-state emission spectra of MxTTM radicals in 0.1 mM toluene solutions (Fig3a.xlsx) and emission kinetics in the 580-610 nm region showing rapid emission following 520 nm excitation (Fig3b.xlsx); normalized steady-state emission spectra of MxTTM radicals in 8 wt% evaporated films in CBP showing increasing emission red-shift and linewidth broadening with decreasing mesitylation (Fig.3c.xlsx) and total emission kinetics in the range of 550-880 nm following 520 nm excitation using 100 fs pulses with fluence 5 μJ cm-2 (Fig3d.xlsx), inset shows early time kinetics (Fig3dInset.xlsx); time-gated photoluminescence spectra of 8 wt% M2TTM radical in CBP film showing monomer emission at nanosecond times and exciplex emission at microsecond times (Fig3e.xlsx); dynamics of emission of MxTTM radicals in CBP films showing time dependence of peak emission wavelength (Fig3f1.xlsx) and integrated photoluminescence counts in the range of 550-880 nm (Fig3f2.xlsx); external quantum efficiency versus current density (Fig4b.xlsx) and current density-voltage-luminance characteristics of organic light-emitting diodes with M2TTM-3PCz radical as the emitter (Fig4c.xlsx); normalized photoluminescence spectrum of the light-emitting layer of 5 wt% M2TTM-3PCz doped CBP film following 405 nm excitation and normalized electroluminescence spectrum of the device at 0.2 mA cm-2 (Fig4d.xlsx); computational atomic coordinates of optimized MxTTM structures in the ground and excited states calculated at the UB3LYP(D3)/def2-SVP and UCAM-B3LYP(D3)/def2-SVP levels of theory, respectively (MxTTM_coordinates.docx).