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

Detalhes bibliográficos
Autor(a) principal: Silva, F. Ferreira da
Data de Publicação: 2015
Outros Autores: 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.
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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spelling 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
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dc.language.iso.fl_str_mv eng
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PURE: 2897152
http://www.scopus.com/inward/record.url?scp=84944246140&partnerID=8YFLogxK
https://doi.org/10.1063/1.4932603
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