Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2016 |
| 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/10.1063/1.4944615 |
Resumo: | R.F.C.N. thanks CNPq (Brazil) and the Science Without Borders Programme for opportunities to study abroad. D.B.J. thanks the Australian Research Council (ARC) for financial support provided through a Discovery Early Career Research Award, while M.J.B. also thanks the ARC for their support. M.J.B. and M.C.A.L. acknowledge the Brazilian agencies CNPq and FAPEMIG. P.L.-V. acknowledges the Portuguese Foundation for Science and Technology (FCT-MEC) through Grant Nos. PTDC/FIS-ATO/1832/2012 and UIO/FIS/00068/2013. G.G. acknowledges partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230) and the European Union COST Action No. CM1301 (CELINA). Finally, R.F.d.C., M.T.d.N.V., M.H.F.B., and M.A.P.L. acknowledge support from the Brazilian agency CNPq and M.T.d.N.V. also thanks FAPESP. |
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Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfuralAldehydesElectron scatteringElectronic statesElectronsFurfuralImpact ionizationPhysics and Astronomy(all)Physical and Theoretical ChemistryR.F.C.N. thanks CNPq (Brazil) and the Science Without Borders Programme for opportunities to study abroad. D.B.J. thanks the Australian Research Council (ARC) for financial support provided through a Discovery Early Career Research Award, while M.J.B. also thanks the ARC for their support. M.J.B. and M.C.A.L. acknowledge the Brazilian agencies CNPq and FAPEMIG. P.L.-V. acknowledges the Portuguese Foundation for Science and Technology (FCT-MEC) through Grant Nos. PTDC/FIS-ATO/1832/2012 and UIO/FIS/00068/2013. G.G. acknowledges partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230) and the European Union COST Action No. CM1301 (CELINA). Finally, R.F.d.C., M.T.d.N.V., M.H.F.B., and M.A.P.L. acknowledge support from the Brazilian agency CNPq and M.T.d.N.V. also thanks FAPESP.We report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (C5H4O2). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C5H4O2. The measurements were carried out at energies in the range 20-40 eV, and for scattered-electron angles between 10°and 90°. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6-50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail.CeFITec – Centro de Física e Investigação TecnológicaDF – Departamento de FísicaRUNJones, D. B.Neves, Rafael F. C.Lopes, Maria Cristina Andreollida Costa, R. F.Do N Varella, M. T.Bettega, M. H. F.Lima, M. A.P.García, G.Limão-Vieira, P.Brunger, M. J.2018-09-17T22:13:00Z2016-03-282016-03-28T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttps://doi.org/10.1063/1.4944615eng0021-9606PURE: 5604608http://www.scopus.com/inward/record.url?scp=84963726705&partnerID=8YFLogxKhttps://doi.org/10.1063/1.4944615info: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:RCAAP2024-03-11T04:24:33Zoai:run.unl.pt:10362/46785Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:32:01.154019Repositório 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 |
Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural |
| title |
Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural |
| spellingShingle |
Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural Jones, D. B. Aldehydes Electron scattering Electronic states Electrons Furfural Impact ionization Physics and Astronomy(all) Physical and Theoretical Chemistry |
| title_short |
Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural |
| title_full |
Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural |
| title_fullStr |
Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural |
| title_full_unstemmed |
Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural |
| title_sort |
Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural |
| author |
Jones, D. B. |
| author_facet |
Jones, D. B. Neves, Rafael F. C. Lopes, Maria Cristina Andreolli da Costa, R. F. Do N Varella, M. T. Bettega, M. H. F. Lima, M. A.P. García, G. Limão-Vieira, P. Brunger, M. J. |
| author_role |
author |
| author2 |
Neves, Rafael F. C. Lopes, Maria Cristina Andreolli da Costa, R. F. Do N Varella, M. T. Bettega, M. H. F. Lima, M. A.P. García, G. Limão-Vieira, P. Brunger, M. J. |
| author2_role |
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 |
Jones, D. B. Neves, Rafael F. C. Lopes, Maria Cristina Andreolli da Costa, R. F. Do N Varella, M. T. Bettega, M. H. F. Lima, M. A.P. García, G. Limão-Vieira, P. Brunger, M. J. |
| dc.subject.por.fl_str_mv |
Aldehydes Electron scattering Electronic states Electrons Furfural Impact ionization Physics and Astronomy(all) Physical and Theoretical Chemistry |
| topic |
Aldehydes Electron scattering Electronic states Electrons Furfural Impact ionization Physics and Astronomy(all) Physical and Theoretical Chemistry |
| description |
R.F.C.N. thanks CNPq (Brazil) and the Science Without Borders Programme for opportunities to study abroad. D.B.J. thanks the Australian Research Council (ARC) for financial support provided through a Discovery Early Career Research Award, while M.J.B. also thanks the ARC for their support. M.J.B. and M.C.A.L. acknowledge the Brazilian agencies CNPq and FAPEMIG. P.L.-V. acknowledges the Portuguese Foundation for Science and Technology (FCT-MEC) through Grant Nos. PTDC/FIS-ATO/1832/2012 and UIO/FIS/00068/2013. G.G. acknowledges partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230) and the European Union COST Action No. CM1301 (CELINA). Finally, R.F.d.C., M.T.d.N.V., M.H.F.B., and M.A.P.L. acknowledge support from the Brazilian agency CNPq and M.T.d.N.V. also thanks FAPESP. |
| publishDate |
2016 |
| dc.date.none.fl_str_mv |
2016-03-28 2016-03-28T00:00:00Z 2018-09-17T22:13:00Z |
| dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
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info:eu-repo/semantics/article |
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article |
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publishedVersion |
| dc.identifier.uri.fl_str_mv |
https://doi.org/10.1063/1.4944615 |
| url |
https://doi.org/10.1063/1.4944615 |
| dc.language.iso.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
0021-9606 PURE: 5604608 http://www.scopus.com/inward/record.url?scp=84963726705&partnerID=8YFLogxK https://doi.org/10.1063/1.4944615 |
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info:eu-repo/semantics/openAccess |
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openAccess |
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application/pdf |
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