2026-04-14T04:36:31Zhttps://recercat.cat/oai/requestoai:recercat.cat:10256/275122026-04-08T14:46:58Zcom_2072_452955com_2072_2054col_2072_453073
urn:hdl:10256/27512
Molecular aromaticity: a quantum phenomenon
Solà i Puig, Miquel
Szczepanik, Dariusz W.
Aromaticitat (Química)
Aromaticity (Chemistry)
Quàntums, Teoria dels
Quantum theory
Preprint in: ChemRxiv, 2025, https://doi.org/10.26434/chemrxiv-2025-tzc36
Aquesta és una versió no revisada per experts de l'article publicat per De GruyterBrill a 'Pure and Applied Chemistry', publicat en línia el 15 d'abril de 2025 i disponible a https://doi.org/10.1515/pac-2025-0465
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
2025-09-25
info:eu-repo/semantics/article
info:eu-repo/semantics/submittedVersion
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
info:eu-repo/semantics/openAccess
De Gruyter Brill
© Pure and Applied Chemistry", 2025, vol. 97, núm. 9, p. 1149-1157
Articles publicats (D-Q)
Solà i Puig, Miquel Szczepanik, Dariusz W. 2025 Molecular aromaticity: a quantum phenomenon Pure and Applied Chemistry 97 9 1149 1157