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).This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreements No. 891167, No. 859752 and No. 886066, from the European Research Council under the European Union’s Horizon 2020 research and innovation programme grant agreement No. 101020167 and from the Engineering and Physical Sciences Research Council NanoDTC, EP/S003126/1, EP/S022953/1
