Ítem
| Agencia Estatal de Investigación | |
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Solà i Puig, Miquel
Szczepanik, Dariusz W. |
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| 25 setembre 2025 | |
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Preprint in: ChemRxiv, 2025, https://doi.org/10.26434/chemrxiv-2025-tzc36 Aquesta és una versió no revisada per experts de l’article posteriorment acceptat publicar per De GruyterBrill a ’Pure and Applied Chemistry’ després de la revisió per parells. Versió final publicada 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 |
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| application/pdf | |
| http://hdl.handle.net/10256/27512 | |
| eng | |
| De Gruyter Brill | |
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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/ |
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| Reconeixement-NoComercial 4.0 Internacional | |
| http://creativecommons.org/licenses/by-nc/4.0 | |
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Aromaticitat (Química)
Aromaticity (Chemistry) Quàntums, Teoria dels Quantum theory |
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| Molecular aromaticity: a quantum phenomenon | |
| info:eu-repo/semantics/article | |
| DUGiDocs |
