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Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

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dc.contributor.authorBlanco Ramos, Francisco
dc.date.accessioned2023-06-18T06:48:39Z
dc.date.available2023-06-18T06:48:39Z
dc.date.issued2015-10-14
dc.description©2015 AIP Publishing LLC Artículo firmado por 18 autores. F.F.S. and P.L.V. acknowledge the Portuguese Foundation for Science and Technology (FCT-MEC) through Grant Nos. SFRH/BPD/68979/2010 and SFRH/BSAB/105792/2014, respectively, the research Grant Nos. PTDC/FIS-ATO/1832/2012 and UID/FIS/00068/2013. P.L.V. also acknowledges his Visiting Research Fellow position at Flinders University, Adelaide, South Australia. The Patrimoine of the University of Liege, the Fonds National de la Recherche Scientifique, and the Fonds de la Recherche Fondamentale Collective of Belgium have also supported this research. E.L. and R.F.C.N. thank CNPq (Brazil) and the Science Without Borders Programme for opportunities to study abroad. The authors wish to acknowledge the beam time at the ISA synchrotron at Aarhus University, Denmark. The research leading to these results has received funding from the European Community's Seventh Framework Programme (Grant No. FP7/2007-2013) CALIPSO under Grant Agreement No. 312284. D.B.J. thanks the Australian Research Council for financial support provided through a Discovery Early Career Research Award. M.J.B. also thanks the Australian Research Council for some financial support, while M.J.B. and M.C.A.L. acknowledge the Brazilian agencies CNPq and FAPEMIG for financial support. F.B. and G.G. acknowledge partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230) and the EU COST Action No. CM1301 (CELINA). Finally, R.F.C., M.T.do N.V., M.H.F.B., and M.A.P.L. acknowledge support from the Brazilian agency CNPq.
dc.description.abstractThe electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5-10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range. (C) 2015 AIP Publishing LLC.
dc.description.departmentDepto. de Estructura de la Materia, Física Térmica y Electrónica
dc.description.facultyFac. de Ciencias Físicas
dc.description.refereedTRUE
dc.description.sponsorshipUnión Europea. FP7
dc.description.sponsorshipMinisterio de Economía y Competitividad (MINECO)
dc.description.sponsorshipPortuguese Foundation for Science and Technology (FCT-MEC)
dc.description.sponsorshipPatrimoine of the University of Liege
dc.description.sponsorshipFonds National de la Recherche Scientifique
dc.description.sponsorshipFonds de la Recherche Fondamentale Collective of Belgium
dc.description.sponsorshipAustralian Research Council
dc.description.sponsorshipCNPq
dc.description.sponsorshipFAPEMIG
dc.description.sponsorshipEU COST Action
dc.description.statuspub
dc.eprint.idhttps://eprints.ucm.es/id/eprint/34848
dc.identifier.doi10.1063/1.4932603
dc.identifier.issn0021-9606
dc.identifier.officialurlhttp://dx.doi.org/10.1063/1.4932603
dc.identifier.relatedurlhttp://scitation.aip.org/
dc.identifier.urihttps://hdl.handle.net/20.500.14352/24266
dc.issue.number14
dc.journal.titleJournal of Chemical Physics
dc.language.isoeng
dc.publisherAmer Inst Physics
dc.relation.projectIDFP7/2007-2013 CALYPSO (312284)
dc.relation.projectIDFIS2012-31230
dc.relation.projectIDSFRH/BPD/68979/2010
dc.relation.projectIDSFRH/BSAB/105792/2014
dc.relation.projectIDPTDC/FIS-ATO/1832/2012
dc.relation.projectIDUID/FIS/00068/2013
dc.relation.projectIDCM1301
dc.rights.accessRightsopen access
dc.subject.cdu539.1
dc.subject.keywordBeam irradiation pretreatment
dc.subject.keywordDifferential cross-sections
dc.subject.keywordEnzymatic-hydrolysis
dc.subject.keyword2-furaldehyde vapor
dc.subject.keywordVuv photoabsorption
dc.subject.keywordAbsorption
dc.subject.keywordBiofuels
dc.subject.keywordStates
dc.subject.keywordPhotochemistry
dc.subject.keywordTransition.
dc.subject.ucmFísica nuclear
dc.subject.unesco2207 Física Atómica y Nuclear
dc.titleElectronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations
dc.typejournal article
dc.volume.number143
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