Research data supporting "Steric Control of Luminescence in Phenyl-Substituted Trityl Radicals"

Compressed (.zip) folder containing data from optical absorption spectra of phenyl substituted TTM radicals in 0.1 mM toluene solution; contains unprocessed and smoothed data (Abs_spectra_soln.xlsx); steady-state photoluminescence spectra following 520 nm excitation in 0.1 mM toluene solution; contains unprocessed, smoothed and normalized data (PL_spectra_soln.xlsx); total emission kinetics following excitation with an electrically pulsed 407 nm laser at a frequency of 5–10 MHz in 0.1 mM toluene solution; contains normalized data (PL_kinetics_soln.xlsx), emission kinetics were not measured for 2,6-ipP3TTM due to weak emission, whereas the corresponding data for M3TTM has been published previously; computational atomic coordinates of optimized ground and excited state structures, calculated at DFT-D3 UB3LYP/def2-SVP and UPBE0/def2-SVP levels of theory, respectively (DFT_coordinates.docx); continuous-wave X-band EPR spectra of the radicals measured at 200 K in 1 mM toluene solution, a modulation field of 0.02 mT was applied at a modulation frequency of 100 kHz with a microwave power of 5 mW (EPR_spectra.xlsx). Abbreviations: P3TTM, tris(3,5-dichloro-[1,1'-biphenyl]-4-yl)methyl radical 4-T3TTM, tris(3,5-dichloro-4'-methyl-[1,1'-biphenyl]-4-yl)methyl radical 3-T3TTM, tris(3,5-dichloro-3'-methyl-[1,1'-biphenyl]-4-yl)methyl radical 2-T3TTM, tris(3,5-dichloro-2'-methyl-[1,1'-biphenyl]-4-yl)methyl radical 3,5-X3TTM, tris(3,5-dichloro-3',5'-dimethyl-[1,1'-biphenyl]-4-yl)methyl radical 2,6-X3TTM, tris(3,5-dichloro-2',6'-dimethyl-[1,1'-biphenyl]-4-yl)methyl radical 2,5-X3TTM, tris(3,5-dichloro-2',5'-dimethyl-[1,1'-biphenyl]-4-yl)methyl radical 2,4-X3TTM, tris(3,5-dichloro-2',4'-dimethyl-[1,1'-biphenyl]-4-yl)methyl radical M3TTM, tris(3,5-dichloro-2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl)methyl radical 2,6-ipP3TTM, tris(3,5-dichloro-2',6'-diisopropyl-[1,1'-biphenyl]-4-yl)methyl radical