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Molecular aromaticity: a quantum phenomenon

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This article version is a preprint and has not been peer-reviewed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

De Gruyter

Director: Agencia Estatal de Investigación
Autor: Solà i Puig, Miquel
Szczepanik, Dariusz W.
Data: 25 setembre 2025
Resum: 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This article version is a preprint and has not been peer-reviewed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
Format: application/pdf
Accés al document: http://hdl.handle.net/10256/27512
Llenguatge: eng
Editor: De Gruyter
Col·lecció: 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/
Drets: Reconeixement-NoComercial 4.0 Internacional
URI Drets: http://creativecommons.org/licenses/by-nc/4.0
Matèria: Aromaticitat (Química)
Aromaticity (Chemistry)
Quàntums, Teoria dels
Quantum theory
Títol: Molecular aromaticity: a quantum phenomenon
Tipus: info:eu-repo/semantics/article
Repositori: DUGiDocs

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