On-surface synthesis of non-benzenoid conjugated polymers by selective atomic rearrangement of ethynylarenes

0570913 - FZÚ 2024 RIV GB eng J - Journal Article
Jimenez-Martin, Alejandro - Villalobos, F. - Mallada Faes, Benjamin Jose - Edalatmanesh, Shayan - Matěj, Adam - Cuerva, J.M. - Jelínek, Pavel - Campaña, A.G. - De La Torre Cerdeño, Bruno
On-surface synthesis of non-benzenoid conjugated polymers by selective atomic rearrangement of ethynylarenes.
Chemical Science. Roč. 14, č. 6 (2023), s. 1403-1412. ISSN 2041-6520. E-ISSN 2041-6539
R&D Projects: GA ČR(CZ) GX20-13692X
Institutional support: RVO:68378271
Keywords : on-surface synthesis * DFT * SPM
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 8.4, year: 2022
Method of publishing: Open access

Here, we report a new on-surface synthetic strategy to precisely introduce five-membered units into conjugated polymers from specifically designed precursor molecules that give rise to low-bandgap fulvalene-bridged bisanthene polymers. The selective formation of non-benzenoid units is finely controlled by the annealing parameters, which govern the initiation of atomic rearrangements that efficiently transform previously formed diethynyl bridges into fulvalene moieties. The atomically precise structures and electronic properties have been unmistakably characterized by STM, nc-AFM, and STS and the results are supported by DFT theoretical calculations. Interestingly, the fulvalene-bridged bisanthene polymers exhibit experimental narrow frontier electronic gaps of 1.2 eV on Au(111) with fully conjugated units.
Permanent Link: https://hdl.handle.net/11104/0342242