Publication details
Synthesis, optical, electrochemical, and computational study of benzene/thiophene based D-π-A chromophores
| Authors | |
|---|---|
| Year of publication | 2024 |
| Type | Article in Periodical |
| Magazine / Source | RSC Advances |
| MU Faculty or unit | |
| Citation | |
| web | https://pubs.rsc.org/en/content/articlelanding/2024/ra/d4ra02668c |
| Doi | http://dx.doi.org/10.1039/d4ra02668c |
| Keywords | ORGANIC SEMICONDUCTORS; CYCLIC VOLTAMMETRY; LUMO LEVELS; APPROXIMATION; FLUORESCENCE; OLIGOMERS; ENERGIES; POLYMERS; CATALYST; HOMO |
| Description | We report the design, synthesis, electrochemical, UV-vis, fluorescence, and computational study of nine pi-linked donor-acceptor (D-pi-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 pi-linker character and substituent on the HOMO-LUMO gap was analysed and interpreted in terms of MO composition via DFT. |