Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations
Autor(a) principal: | |
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Data de Publicação: | 2015 |
Outros Autores: | , , , , , , , , , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | https://doi.org/10.1063/1.4932603 |
Resumo: | 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. |
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Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculationsBEAM IRRADIATION PRETREATMENTDIFFERENTIAL CROSS-SECTIONSENZYMATIC-HYDROLYSIS2-FURALDEHYDE VAPORVUV PHOTOABSORPTIONABSORPTIONBIOFUELSPHOTOCHEMISTRYPhysics and Astronomy(all)Physical and Theoretical ChemistryF.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.The 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.CeFITec – Centro de Física e Investigação TecnológicaDF – Departamento de FísicaRUNSilva, F. Ferreira daLange, EmilyLimão-Vieira, P.Jones, Nycola C.Hoffmann, Soren VronningHubin-Franskin, Marie JeanneDelwiche, Jacques P.Brunger, Michael J.Neves, Rafael F. C.Lopes, Maria Cristina AndreolliSilva, Maria João Oliveira eCosta, Romarly F. daVarella, Márcio T. N.Bettega, Márcio H.F.Blanco, Francisco J.García, Gustavo A.Lima, Marco A. P.Jones, Darryl B.2018-05-08T22:11:36Z2015-10-142015-10-14T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttps://doi.org/10.1063/1.4932603eng0021-9606PURE: 2897152http://www.scopus.com/inward/record.url?scp=84944246140&partnerID=8YFLogxKhttps://doi.org/10.1063/1.4932603info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-03-11T04:19:37Zoai:run.unl.pt:10362/36244Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:30:25.076722Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations |
title |
Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations |
spellingShingle |
Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations Silva, F. Ferreira da BEAM IRRADIATION PRETREATMENT DIFFERENTIAL CROSS-SECTIONS ENZYMATIC-HYDROLYSIS 2-FURALDEHYDE VAPOR VUV PHOTOABSORPTION ABSORPTION BIOFUELS PHOTOCHEMISTRY Physics and Astronomy(all) Physical and Theoretical Chemistry |
title_short |
Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations |
title_full |
Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations |
title_fullStr |
Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations |
title_full_unstemmed |
Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations |
title_sort |
Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations |
author |
Silva, F. Ferreira da |
author_facet |
Silva, F. Ferreira da Lange, Emily Limão-Vieira, P. Jones, Nycola C. Hoffmann, Soren Vronning Hubin-Franskin, Marie Jeanne Delwiche, Jacques P. Brunger, Michael J. Neves, Rafael F. C. Lopes, Maria Cristina Andreolli Silva, Maria João Oliveira e Costa, Romarly F. da Varella, Márcio T. N. Bettega, Márcio H.F. Blanco, Francisco J. García, Gustavo A. Lima, Marco A. P. Jones, Darryl B. |
author_role |
author |
author2 |
Lange, Emily Limão-Vieira, P. Jones, Nycola C. Hoffmann, Soren Vronning Hubin-Franskin, Marie Jeanne Delwiche, Jacques P. Brunger, Michael J. Neves, Rafael F. C. Lopes, Maria Cristina Andreolli Silva, Maria João Oliveira e Costa, Romarly F. da Varella, Márcio T. N. Bettega, Márcio H.F. Blanco, Francisco J. García, Gustavo A. Lima, Marco A. P. Jones, Darryl B. |
author2_role |
author author author author author author author author author author author author author author author author author |
dc.contributor.none.fl_str_mv |
CeFITec – Centro de Física e Investigação Tecnológica DF – Departamento de Física RUN |
dc.contributor.author.fl_str_mv |
Silva, F. Ferreira da Lange, Emily Limão-Vieira, P. Jones, Nycola C. Hoffmann, Soren Vronning Hubin-Franskin, Marie Jeanne Delwiche, Jacques P. Brunger, Michael J. Neves, Rafael F. C. Lopes, Maria Cristina Andreolli Silva, Maria João Oliveira e Costa, Romarly F. da Varella, Márcio T. N. Bettega, Márcio H.F. Blanco, Francisco J. García, Gustavo A. Lima, Marco A. P. Jones, Darryl B. |
dc.subject.por.fl_str_mv |
BEAM IRRADIATION PRETREATMENT DIFFERENTIAL CROSS-SECTIONS ENZYMATIC-HYDROLYSIS 2-FURALDEHYDE VAPOR VUV PHOTOABSORPTION ABSORPTION BIOFUELS PHOTOCHEMISTRY Physics and Astronomy(all) Physical and Theoretical Chemistry |
topic |
BEAM IRRADIATION PRETREATMENT DIFFERENTIAL CROSS-SECTIONS ENZYMATIC-HYDROLYSIS 2-FURALDEHYDE VAPOR VUV PHOTOABSORPTION ABSORPTION BIOFUELS PHOTOCHEMISTRY Physics and Astronomy(all) Physical and Theoretical Chemistry |
description |
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. |
publishDate |
2015 |
dc.date.none.fl_str_mv |
2015-10-14 2015-10-14T00:00:00Z 2018-05-08T22:11:36Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://doi.org/10.1063/1.4932603 |
url |
https://doi.org/10.1063/1.4932603 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
0021-9606 PURE: 2897152 http://www.scopus.com/inward/record.url?scp=84944246140&partnerID=8YFLogxK https://doi.org/10.1063/1.4932603 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
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openAccess |
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application/pdf |
dc.source.none.fl_str_mv |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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1799137928549498880 |