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The spectra of the 20Ne and 22Ne species have been observed, and the rotational constants have been used to determine the structure of the complex. This structure, and those of the previously experimentally studied complexes benzene-Ne and pyridine-Ne, are an excellent benchmark for the theoretical calculations on these adducts. These complexes and hexafluorobenzene-Ne have been investigated at the CCSD\/6-311++G(2d,p) level. The calculations reproduce the experimental structures well and show how the van der Waals complexes are stronger for the perfluorinated compound.<\/jats:p>","DOI":"10.3390\/molecules27010017","type":"journal-article","created":{"date-parts":[[2021,12,21]],"date-time":"2021-12-21T09:50:43Z","timestamp":1640080243000},"page":"17","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Perfluorination of Aromatic Compounds Reinforce Their van der Waals Interactions with Rare Gases: The Rotational Spectrum of Pentafluoropyridine-Ne"],"prefix":"10.3390","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3014-7674","authenticated-orcid":false,"given":"Alberto","family":"Macario","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica F\u00edsica y Qu\u00edmica Inorg\u00e1nica, Facultad de Ciencias, IU CINQUIMA Universidad de Valladolid, 47011 Valladolid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1196-3844","authenticated-orcid":false,"given":"Susana","family":"Blanco","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica F\u00edsica y Qu\u00edmica Inorg\u00e1nica, Facultad de Ciencias, IU CINQUIMA Universidad de Valladolid, 47011 Valladolid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6876-6211","authenticated-orcid":false,"given":"Ibon","family":"Alkorta","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica (CSIC), Juan de la Cierva 3, 28006 Madrid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1028-779X","authenticated-orcid":false,"given":"Juan Carlos","family":"L\u00f3pez","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica F\u00edsica y Qu\u00edmica Inorg\u00e1nica, Facultad de Ciencias, IU CINQUIMA Universidad de Valladolid, 47011 Valladolid, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2021,12,21]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Grabow, J.-U., and Caminati, W. 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