Synthesis,measurements, and theoretical analysis of carbazole derivatives with high-triplet-energy |
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Authors: | Jianli Li Xiaoyun Mi Yuchun Wan Zhenjun Si Haiying Sun Qian Duan Xingquan He Dong Yan Sha Wan |
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Institution: | 1. School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, PR China;2. Institute of Organic Chemistry & Biochemistry, Czech Academy of Science, Praha 6 16610, Czech Republic;3. School of Chemistry & Environmental Engineering, Changchun University of Science and Technology, Changchun 130022, PR China |
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Abstract: | In order to obtain the blue light-emitting organic materials with high triplet state energy, two 3,5-diphenyl-4H-1,2,4-triazole (Tz) containing carbazole (Cz) derivatives of 9-(4-(3,5-diphenyl-4H-1,2,4-triazol-4-yl)phenyl)-9H-carbazole (TzCz1) and 3,6-di-tert-butyl-9-(4-(3,5-diphenyl-4H-1,2,4-triazol-4-yl)phenyl)-9H-carbazole (TzCz2) are synthesized using Cz acting as the starting material, as well as characterized by the 1H NMR spectra, ultraviolet–visible (UV–vis) absorption spectra, and the IR absorption spectra. The luminescence quantum yields (LQYs) of TzCz1 and TzCz2 are measured in CH2Cl2 solution to be 32.1% and 47.5%, respectively. The electrochemical analysis and the photophysical measurements suggest that the triplet energy levels and the energy gaps of the highest-occupied orbital and the lowest-unoccupied orbital are 2.83 eV and 3.59 eV for TzCz1, and 2.80 eV and 3.43 eV for TzCz2. At last, the theoretical analyses of their ground state geometries and the simulated UV–vis absorption spectra are carried out at B3LYP1/6-31G? level. The studies mentioned above indicate that both TzCz1 and TzCz2 are suitable for the host materials of blue light-emitting diodes. |
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