2026-04-30T00:27:13Zhttps://uvadoc.uva.es/oai/request

oai:uvadoc.uva.es:10324/842292026-04-21T19:21:50Zcom_10324_28542com_10324_952com_10324_894col_10324_28543

Villar Castro, Daniel Cabezas, Carlos Steber, Amanda Morán, José R. Fuente, Selene de la Hussain, Farha S. Pérez Meirás, Dolores Lesarri Gómez, Alberto Eugenio Cernicharo, José Pérez Cuadrado, Cristobal Peña Calvo, María Isabel 2026-04-21T10:46:56Z 2026-04-21T10:46:56Z 2026 The Journal of Physical Chemistry Letters, 2026 1948-7185 https://uvadoc.uva.es/handle/10324/84229 10.1021/acs.jpclett.6c00413 The Journal of Physical Chemistry Letters 1948-7185 Producción Científica The combined use of laboratory rotational spectroscopy and radio astronomical observations remains the most effective approach for identifying molecules in the interstellar medium (ISM). Following the recent detections of several polycyclic aromatic hydrocarbons (PAHs) and their cyano derivatives in the dense Taurus Molecular Cloud (TMC-1), it is reasonable to extend such searches to other PAHs within the same source. In this work, we report a rotational spectroscopy study of commercially available fluoranthene (FA) and its synthesized cyano derivative, 3-cyanofluoranthene (3-CNFA), using chirped-pulse Fourier-transform microwave spectroscopy. The analysis of the rotational spectra, supported by quantum chemical calculations, yielded molecular parameters for the parent species of both FA and 3-CNFA molecules. The experimental data of 3-CNFA were later used for its astronomical search in TMC-1 with the QUIJOTE line survey but proved unsuccessful. Despite the nondetection of 3-CNFA in this source, the upper limit to its abundance was established. The experimental data will support future astronomical searches in the ISM. This work was based on observations carried out with the Yebes 40m telescope (projects 19A003, 20A014, 20D023, 21A011, 21D005, 23A024 and commissioning observations for the new ASTROREC receiver) Ministerio de Ciencia e Innovación y al Fondo Europeo de Desarrollo Regional (MICINN–FEDER) (proyecto PID2020-117925GA-I00) Ministerio de Ciencia, Innovación y Universidades - MCIU/AEI/10. 13039/501100011033 y por la FSE+ (beca RYC2022-037922-I) The ERC for the CoG HydroChiral (Grant Agreement No 101124939) Ministerio de Ciencia e Innovación y del Fondo Europeo de Desarrollo Regional - MICINN-FEDER, (subvenciones PID2021-125015NBI00; PID2024-158277NBI00; PID2023-147545NB-I00 y PID2022-139933NB-I00) Xunta de Galicia (Centro de investigación do Sistema universitario de Galicia accreditation 2023-2027, ED431G 2023/03) The European Union (European Regional Development Fund - ERDF) (pre-doctoral fellowship (PREP2022-000207) application/pdf eng American Chemical Society info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/4.0/ © 2026 The Author(s) Atribución 4.0 Internacional Aromatic compounds Energy levels Hydrocarbons Molecules Spectroscopy 2303 Química Inorgánica Rotational characterization of four-ring polycyclic aromatic hydrocarbons: toward the detection of fluoranthene and cyanofluoranthene in space info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion https://pubs.acs.org/doi/10.1021/acs.jpclett.6c00413 SI