Universitat de Girona
Agencia Estatal de Investigación
2025-09-25
Preprint in: ChemRxiv, 2025, https://doi.org/10.26434/chemrxiv-2025-tzc36
This article version is a preprint and has not been peer-reviewed
To celebrate the International Year of Quantum Science and Technology (IYQ), we discuss how the concept of aromaticity emerges from the postulates of quantum mechanics. Based on this discussion, we analyze the case of cyclo [18]carbon, a molecule that was characterized for the first time in 2019 in a scanning tunneling microscope. From the very beginning, this molecule was classified as an aromatic molecule. In the present work, we challenge this classification and provide arguments to classify this molecule as a non-aromatic species
Funding source: Departament d'Innovació, Universitats i Empresa, Generalitat de Catalunya: grant number: 2021SGR623; ICREA Academia prize 2024 to M.S.; Infrastruktura PL-Grid: grant number: PLG/2024/017801; Ministerio de Ciencia, Innovación y Universidades: grant number: PID2023-147424NB-I00 and Narodowe Centrum Nauki: grant number: 2021/42/E/ST4/00332
Article
Submitted version
English
Aromaticitat (Química); Aromaticity (Chemistry); Quàntums, Teoria dels; Quantum theory
De Gruyter
info:eu-repo/semantics/altIdentifier/doi/10.1515/pac-2025-0465
info:eu-repo/semantics/altIdentifier/issn/0033-4545
info:eu-repo/semantics/altIdentifier/eissn/1365-3075
PID2023-147424NB-I00
https://doi.org/10.26434/chemrxiv-2025-tzc36
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2023-147424NB-I00/ES/DISEÑO COMPUTACIONAL DE COMPUESTOS ORGANICOS PI-CONJUGADOS PARA APLICACIONES FOTOVOLTAICAS Y OPTOELECTRONICAS/
Reconeixement-NoComercial 4.0 Internacional
http://creativecommons.org/licenses/by-nc/4.0
