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Aromatic and Antiaromatic Dehydroannulenes
Univ Copenhagen, Denmark.
Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-0716-3385
Univ Copenhagen, Denmark.
2026 (English)In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 148, no 1, p. 1096-1105Article in journal (Refereed) Published
Abstract [en]

Cyclocarbons make up an emerging family of carbon allotropes, but their instability precludes the study of their physicochemical properties. We report a synthetic route to cyclopentenone-annulated [18]- and [24]dehydroannulenes that are stable aromatic and antiaromatic models of cyclocarbon precursors. Combining NMR spectroscopy, X-ray crystallography, optical spectroscopy, electrochemistry, spectroelectrochemistry, and density functional theory (DFT) calculations, we address the aromatic and antiaromatic behavior of these electron-accepting molecules. Cyclopenteno[24]dehydroannulenes undergo two-electron reductions to form Huckel-aromatic 26 pi-electron dianions with significant planarization. Replacing cyclopentenone corners with more electron-withdrawing cyclopentenediones lowers the reduction potentials, thereby enhancing the redox activity. Cyclopenteno[18/24]dehydroannulenes are designed so that each cyclopentenone corner bears a dimethylacetal group on the central carbonyl moiety. The chemical shift of the methyl groups acts as a probe for the aromaticity and antiaromaticity of the annulene system, confirming the diatropicity and paratropicity of the pi-conjugated system. The combination of structural control and electroactivity makes these scaffolds promising candidates for organic electronics and topochemical polymerization.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2026. Vol. 148, no 1, p. 1096-1105
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-220401DOI: 10.1021/jacs.5c17148ISI: 001649826700001PubMedID: 41452700Scopus ID: 2-s2.0-105027561430OAI: oai:DiVA.org:liu-220401DiVA, id: diva2:2028573
Note

Funding Agencies|Villum Foundation [00040871]; Novo Nordisk Foundation [NNF24OC0090256]; Swedish Research Council [2022-06725, 2024-05286]; Swedish Government Strategic Research Area in Materials Science on Advanced Functional Materials at Linkoping University [2009-00971]; European Union (ERC) [101077649]

Available from: 2026-01-15 Created: 2026-01-15 Last updated: 2026-03-12

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The full text will be freely available from 2026-12-26 08:36
Available from 2026-12-26 08:36

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