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

2015-10-14Artigo científico Acesso aberto
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dc.contributor.authorSilva, F. Ferreira da
dc.contributor.authorLange, Emily
dc.contributor.authorLimão-Vieira, P.
dc.contributor.authorJones, Nycola C.
dc.contributor.authorHoffmann, Soren Vronning
dc.contributor.authorHubin-Franskin, Marie Jeanne
dc.contributor.authorDelwiche, Jacques P.
dc.contributor.authorBrunger, Michael J.
dc.contributor.authorNeves, Rafael F. C.
dc.contributor.authorLopes, Maria Cristina Andreolli
dc.contributor.authorSilva, Maria João Oliveira e
dc.contributor.authorCosta, Romarly F. da
dc.contributor.authorVarella, Márcio T. N.
dc.contributor.authorBettega, Márcio H.F.
dc.contributor.authorBlanco, Francisco J.
dc.contributor.authorGarcía, Gustavo A.
dc.contributor.authorLima, Marco A. P.
dc.contributor.authorJones, Darryl B.
dc.contributor.institutionCeFITec – Centro de Física e Investigação Tecnológica
dc.contributor.institutionDF – Departamento de Física
dc.contributor.pblAIP - American Institute of Physics
dc.date.accessioned2018-05-08T22:11:36Z
dc.date.available2018-05-08T22:11:36Z
dc.date.issued2015-10-14
dc.descriptionF.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.en
dc.description.versionpublishersversion
dc.description.versionpublished
dc.format.extent1510539
dc.identifier.doi10.1063/1.4932603
dc.identifier.issn0021-9606
dc.identifier.otherPURE: 2897152
dc.identifier.otherPURE UUID: 3a4e2ded-63c4-4c01-a8a1-90203a0dbf19
dc.identifier.otherScopus: 84944246140
dc.identifier.otherPubMed: 26472380
dc.identifier.otherWOS: 000362971600025
dc.identifier.otherORCID: /0000-0002-2182-2965/work/43287990
dc.identifier.otherORCID: /0000-0003-2696-1152/work/151412003
dc.identifier.urihttp://www.scopus.com/inward/record.url?scp=84944246140&partnerID=8YFLogxK
dc.identifier.urlhttps://www.scopus.com/pages/publications/84944246140
dc.language.isoeng
dc.peerreviewedyes
dc.subjectBEAM IRRADIATION PRETREATMENT
dc.subjectDIFFERENTIAL CROSS-SECTIONS
dc.subjectENZYMATIC-HYDROLYSIS
dc.subject2-FURALDEHYDE VAPOR
dc.subjectVUV PHOTOABSORPTION
dc.subjectABSORPTION
dc.subjectBIOFUELS
dc.subjectPHOTOCHEMISTRY
dc.subjectGeneral Physics and Astronomy
dc.subjectPhysical and Theoretical Chemistry
dc.titleElectronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculationsen
dc.typejournal article
degois.publication.issue14
degois.publication.titleJournal of Chemical Physics
degois.publication.volume143
dspace.entity.typePublication
rcaap.rightsopenAccess

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