Issue 48, 2024, Issue in Progress

Synthesis, optical, electrochemical, and computational study of benzene/thiophene based D–π–A chromophores

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.

Graphical abstract: Synthesis, optical, electrochemical, and computational study of benzene/thiophene based D–π–A chromophores

Supplementary files

Article information

Article type
Paper
Submitted
09 Apr 2024
Accepted
01 Oct 2024
First published
05 Nov 2024
This article is Open Access
Creative Commons BY license

RSC Adv., 2024,14, 35424-35437

Synthesis, optical, electrochemical, and computational study of benzene/thiophene based D–π–A chromophores

M. Babejová, I. Třísková, L. Trnková, H. Semrád, M. Munzarová, D. Heger, D. Nachtigallová and M. Potáček, RSC Adv., 2024, 14, 35424 DOI: 10.1039/D4RA02668C

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