biostudies-literatureStanitska MSimons FoundationMinistry of Education and Science of UkraineLietuvos Mokslo Taryba14613-14626https://www.ebi.ac.uk/biostudies/studies/S-EPMC10976381biostudies-literatureUnknown9(12)The synthesis of four 4-(carbazolyl-<i>R</i>-benzoyl)-5-CF₃-1<i>H</i>-1,2,3-triazoles with extra groups ((3-methyl)-phenyl-, 4-fluorophenyl-, quinolinyl-, or (3-trifluoromethyl)-phenyl-) in the acceptor fragment has been reported. The effects of substituents with different electron-withdrawing strengths on the thermal, electrochemical, photophysical, and electroluminescence properties of the synthesized compounds are discussed. The results of X-ray analyses and density functional theory (DFT) calculations support unusual molecular packing and electronic properties. The compounds are capable of glass formation with glass transition temperatures ranging from 54-84 °C. Ionization potentials of the compounds are in the range of 5.98-6.22 eV and electron affinities range from 3.09 toACS omegaEffects of Electron-Withdrawing Strengths of the Substituents on the Properties of 4-(Carbazolyl-<i>R</i>-benzoyl)-5-CF₃-1<i>H</i>-1,2,3-triazole Derivatives as Blue Emitters for Doping-Free Electroluminescence Devices.PMC109763811037973S-MIP-22-78Grazulevicius JVPokhodylo NObushak MLytvyn RKutsiy SKeruckiene RKinzhybalo VVolyniuk DStakhira PUrbonas EStanitska MIvaniuk KfalseEffects of Electron-Withdrawing Strengths of the Substituents on the Properties of 4-(Carbazolyl-<i>R</i>-benzoyl)-5-CF₃-1<i>H</i>-1,2,3-triazole Derivatives as Blue Emitters for Doping-Free Electroluminescence Devices.The synthesis of four 4-(carbazolyl-<i>R</i>-benzoyl)-5-CF₃-1<i>H</i>-1,2,3-triazoles with extra groups ((3-methyl)-phenyl-, 4-fluorophenyl-, quinolinyl-, or (3-trifluoromethyl)-phenyl-) in the acceptor fragment has been reported. The effects of substituents with different electron-withdrawing strengths on the thermal, electrochemical, photophysical, and electroluminescence properties of the synthesized compounds are discussed. The results of X-ray analyses and density functional theory (DFT) calculations support unusual molecular packing and electronic properties. The compounds are capable of glass formation with glass transition temperatures ranging from 54-84 °C. Ionization potentials of the compounds are in the range of 5.98-6.22 eV and electron affinities range from 3.09 to2024-01-01T00:00:00Z2024 Mar2025-04-22T08:22:38.039Z2025-04-22T08:22:38.039ZS-EPMC109763813855996510.1021/acsomega.4c01077