{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T01:37:35Z","timestamp":1760146655639,"version":"build-2065373602"},"reference-count":54,"publisher":"MDPI AG","issue":"23","license":[{"start":{"date-parts":[[2024,11,27]],"date-time":"2024-11-27T00:00:00Z","timestamp":1732665600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Brazilian agencies Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior (CAPES)","award":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"],"award-info":[{"award-number":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"]}]},{"name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico (CNPq)","award":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"],"award-info":[{"award-number":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"]}]},{"name":"EU Framework Programme for Research and Innovation HORIZON 2020","award":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"],"award-info":[{"award-number":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"]}]},{"name":"Radiation Biology and Biophysics Doctoral Training Programme","award":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"],"award-info":[{"award-number":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"]}]},{"name":"UCIBIO","award":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"],"award-info":[{"award-number":["730872","RaBBiT, PD\/00193\/2012","UIDB\/04378\/2020"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>We report absolute high-resolution vacuum ultraviolet (VUV) photoabsorption cross-sections of carbon tetrachloride (CCl4) in the photon energy range 5.0\u201310.8 eV (248\u2013115 nm). The molecular spectrum and electronic structure have been comprehensively investigated together with quantum chemical calculations, providing geometries, bond lengths, vertical excitation energies and oscillator strengths. The major electronic excitations have been assigned to valence and Rydberg transitions which are also accompanied by vibrational excitation assigned to degenerate stretching, v3\u2032t2 and degenerate deformation v4\u2032t2 modes. The rather complex nuclear dynamics along the degenerate deformation mode, v4\u2032t2, have been thoroughly investigated by Time-Dependent Density Functional Theory (TD-DFT) method. The relevant Jahn\u2013Teller distortion operative within the lowest-lying electronic excited-state is shown here for the first time in order to yield a weak absorption feature at 6.156 eV. Further calculations on the potential energy curves for the singlet excited-states along the C\u2013Cl stretching coordinate show the relevance of efficient C\u2013Cl bond excision.<\/jats:p>","DOI":"10.3390\/molecules29235619","type":"journal-article","created":{"date-parts":[[2024,11,27]],"date-time":"2024-11-27T11:26:08Z","timestamp":1732706768000},"page":"5619","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Symmetry Breaking in the Lowest-Lying Excited-State of CCl4: Valence Shell Spectroscopy in the 5.0\u201310.8 eV Photon Energy Range"],"prefix":"10.3390","volume":"29","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5203-3774","authenticated-orcid":false,"given":"Luiz V. S.","family":"Dalagnol","sequence":"first","affiliation":[{"name":"Departamento de F\u00edsica, Universidade Federal do Paran\u00e1, Caixa Postal 19044, Curitiba 81531-980, Paran\u00e1, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1996-9925","authenticated-orcid":false,"given":"Sarvesh","family":"Kumar","sequence":"additional","affiliation":[{"name":"Atomic and Molecular Collisions Laboratory, CEFITEC-Centre of Physics and Technological Research, Department of Physics, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal"},{"name":"Lawrence Berkeley National Laboratory, Chemical Sciences Division, One Cyclotron Road, Berkeley, CA 94720, USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7989-1878","authenticated-orcid":false,"given":"Alessandra S.","family":"Barbosa","sequence":"additional","affiliation":[{"name":"Departamento de F\u00edsica, Universidade Federal do Paran\u00e1, Caixa Postal 19044, Curitiba 81531-980, Paran\u00e1, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0009-0009-9505-3909","authenticated-orcid":false,"given":"Umma S.","family":"Akther","sequence":"additional","affiliation":[{"name":"Atomic and Molecular Collisions Laboratory, CEFITEC-Centre of Physics and Technological Research, Department of Physics, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4081-6405","authenticated-orcid":false,"given":"Nykola C.","family":"Jones","sequence":"additional","affiliation":[{"name":"ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus, Denmark"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8018-5433","authenticated-orcid":false,"given":"S\u00f8ren V.","family":"Hoffmann","sequence":"additional","affiliation":[{"name":"ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus, Denmark"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9322-1360","authenticated-orcid":false,"given":"M\u00e1rcio H. F.","family":"Bettega","sequence":"additional","affiliation":[{"name":"Departamento de F\u00edsica, Universidade Federal do Paran\u00e1, Caixa Postal 19044, Curitiba 81531-980, Paran\u00e1, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2696-1152","authenticated-orcid":false,"given":"Paulo","family":"Lim\u00e3o-Vieira","sequence":"additional","affiliation":[{"name":"Atomic and Molecular Collisions Laboratory, CEFITEC-Centre of Physics and Technological Research, Department of Physics, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2024,11,27]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"2179","DOI":"10.1116\/1.586186","article-title":"Monte Carlo-fluid model of chlorine atom production in Cl2, HCl, and CCl4 radio-frequency discharges for plasma etching","volume":"10","author":"Sommerer","year":"1992","journal-title":"J. Vac. Sci. Technol. 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