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Updated: Jun 8, 2025

Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
Published on: October 24, 2017
Synthesis, optical, electrochemical, and computational study of benzene/thiophene based D-π-A chromophores
Michaela Babejová1, Iveta Třísková1, Libuše Trnková1
1Department of Chemistry, Faculty of Science, Masaryk University Kotlářská 2 CZ 611 37 Brno Czech Republic potacek@chemi.muni.cz.
Abstract:
We report the design, synthesis, electrochemical, UV-vis, fluorescence, and computational study of nine π-linked donor-acceptor (D-π-A) chromophores. The series of novel compounds comprises a terphenyl, terthiophene, or 2,5-diphenyl thiophene linker, with one electron-donating group (methyl or p-N,N-diethyl) and one electron-withdrawing group (nitrone, formyl, or dicyanovinyl) at opposite ends of the molecule. The HOMO-LUMO gaps were determined via cyclic voltammetry and found to correspond well to DFT-calculated values. Furthermore, the influence of the π-linker character and substituent on the HOMO-LUMO gap was analysed and interpreted in terms of MO composition via DFT.
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