{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T01:26:49Z","timestamp":1760059609210,"version":"build-2065373602"},"reference-count":61,"publisher":"MDPI AG","issue":"13","license":[{"start":{"date-parts":[[2025,6,29]],"date-time":"2025-06-29T00:00:00Z","timestamp":1751155200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"French State and University of Lille","award":["R-CDP-24-003-AREA"],"award-info":[{"award-number":["R-CDP-24-003-AREA"]}]},{"name":"CNRS","award":["TREMPLIN@2023"],"award-info":[{"award-number":["TREMPLIN@2023"]}]},{"name":"Spanish Ministerio de Ciencia e Innovaci\u00f3n","award":["PID2022-136525NA-I00"],"award-info":[{"award-number":["PID2022-136525NA-I00"]}]},{"name":"Ministerio de Universidades y University of Valladolid","award":["CONVRED-2021-317"],"award-info":[{"award-number":["CONVRED-2021-317"]}]},{"name":"Univ. Lille AAS Internationalisation 2025","award":["\u201cInternational invited speaker\u201d program"],"award-info":[{"award-number":["\u201cInternational invited speaker\u201d program"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>The rotational spectra of xanthene and its oxidation product xanthone were investigated by combining quantum chemical calculations with Fourier transform microwave spectroscopy in a jet-cooled environment. Xanthone was unexpectedly generated in the experiment when water was present in the reservoir of xanthene leading to the total disappearance of xanthene after few hours. Structurally, xanthone shows a near planar disposition, whereas xanthene exhibits a non-planar geometry with both benzene rings twisted out of the molecular plane. This geometry enables an inversion motion between two equivalent conformers, giving rise to a splitting in the ground vibrational state. A two-state analysis of the vibration\u2013rotation interaction for the v=0 and v=1 states gives an energy separation between these states (inversion splitting) of \u0394E01=4689.7095(10)MHz. This large-amplitude motion leads to vibration\u2013rotation coupling of energy levels. A symmetric double-minimum inversion potential function was determined, resulting in a barrier of about 45 cm\u22121 in good agreement with that obtained by DFT quantum chemical calculations.<\/jats:p>","DOI":"10.3390\/molecules30132801","type":"journal-article","created":{"date-parts":[[2025,6,30]],"date-time":"2025-06-30T11:37:51Z","timestamp":1751283471000},"page":"2801","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Inversion Motion of Xanthene and Detection of Its Oxidation Product Xanthone from Gas-Phase Rotational Spectroscopy"],"prefix":"10.3390","volume":"30","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6266-9207","authenticated-orcid":false,"given":"Celina","family":"Berm\u00fadez","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica F\u00edsica y Qu\u00edmica Inorg\u00e1nica, Facultad de Ciencias\u2014I.U. CINQUIMA, Universidad de Valladolid, Paseo de Bel\u00e9n 7, 47011 Valladolid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7775-5781","authenticated-orcid":false,"given":"Manuel","family":"Goubet","sequence":"additional","affiliation":[{"name":"University of Lille, CNRS, UMR 8523\u2014PhLAM\u2014Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6662-7784","authenticated-orcid":false,"given":"Elias M.","family":"Neeman","sequence":"additional","affiliation":[{"name":"University of Lille, CNRS, UMR 8523\u2014PhLAM\u2014Physique des Lasers Atomes et Mol\u00e9cules, F-59000 Lille, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2025,6,29]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"9444","DOI":"10.1021\/acs.est.0c06905","article-title":"Polycyclic Aromatic Hydrocarbons in the Atmosphere near the Great Lakes: Why Do Their Concentrations Vary?","volume":"55","author":"Hites","year":"2021","journal-title":"Environ. 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