Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments
Autor(a) principal: | |
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Data de Publicação: | 2021 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10400.21/14836 |
Resumo: | We report a novel and comprehensive analysis of the chlorine anion (Cl−) kinetic energy release distributions (KERDs) from electron transfer experiments at 12, 40 and 118 eV collision energies in the centre-of-mass frame. These distributions have been obtained from the shape and width of Cl− time-offlight mass spectra from collisions of neutral potassium (K) atoms with a set of selected neutral chlorinated compounds, viz. C6H5Cl, C6D5Cl, C6H11Cl and C6Cl6. The reactions producing bond breaking of the temporary negative ions formed with an excess of internal energy in such collisions, are a result of intramolecular energy redistribution through the different available degrees of freedom due to statistical degradation via vibrational excitation and partly due to direct transformation into translational energy of the fragment anions. The Cl− low-energy kinetic energy release, εd, has been fitted with a statistical function and the role of the different available resonances in the collision dynamics has been discussed, allowing therefore to obtain relevant information on the electronic structure involved in negative ion formation. From Cl− kinetic-energy release maxima as a function of the collision energy, C6Cl6 shows the lowest values which have been attributed to the strong competition with the parent anion formation. In contrast, C6H11Cl shows the highest values which result from this molecular system having no π delocalized electrons over the ring, and the electronic state spectroscopy is mostly dictated by relevant σ* antibonding character along the C–Cl coordinate. |
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Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experimentsChlorine anion (Cl−)Kinetic energy release distributions (KERDs)ChlorobenzeneElectron transfer experimentsWe report a novel and comprehensive analysis of the chlorine anion (Cl−) kinetic energy release distributions (KERDs) from electron transfer experiments at 12, 40 and 118 eV collision energies in the centre-of-mass frame. These distributions have been obtained from the shape and width of Cl− time-offlight mass spectra from collisions of neutral potassium (K) atoms with a set of selected neutral chlorinated compounds, viz. C6H5Cl, C6D5Cl, C6H11Cl and C6Cl6. The reactions producing bond breaking of the temporary negative ions formed with an excess of internal energy in such collisions, are a result of intramolecular energy redistribution through the different available degrees of freedom due to statistical degradation via vibrational excitation and partly due to direct transformation into translational energy of the fragment anions. The Cl− low-energy kinetic energy release, εd, has been fitted with a statistical function and the role of the different available resonances in the collision dynamics has been discussed, allowing therefore to obtain relevant information on the electronic structure involved in negative ion formation. From Cl− kinetic-energy release maxima as a function of the collision energy, C6Cl6 shows the lowest values which have been attributed to the strong competition with the parent anion formation. In contrast, C6H11Cl shows the highest values which result from this molecular system having no π delocalized electrons over the ring, and the electronic state spectroscopy is mostly dictated by relevant σ* antibonding character along the C–Cl coordinate.SpringerRCIPLKumar, SarveshPereira, PedroGarcia, GustavoLimão-Vieira, Paulo2022-07-14T14:16:14Z2021-112021-11-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10400.21/14836engKUMAR, Sarvesh; [et al] – Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments. European Physical Journal D. ISSN 1434-6060. Vol. 75, N.º 11 (2021), pp. 1-10.1434-606010.1140/epjd/s10053-021-00307-01434-6079metadata only accessinfo: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:RCAAP2023-08-03T10:11:32Zoai:repositorio.ipl.pt:10400.21/14836Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T20:22:34.195543Repositório 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 |
Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments |
title |
Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments |
spellingShingle |
Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments Kumar, Sarvesh Chlorine anion (Cl−) Kinetic energy release distributions (KERDs) Chlorobenzene Electron transfer experiments |
title_short |
Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments |
title_full |
Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments |
title_fullStr |
Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments |
title_full_unstemmed |
Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments |
title_sort |
Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments |
author |
Kumar, Sarvesh |
author_facet |
Kumar, Sarvesh Pereira, Pedro Garcia, Gustavo Limão-Vieira, Paulo |
author_role |
author |
author2 |
Pereira, Pedro Garcia, Gustavo Limão-Vieira, Paulo |
author2_role |
author author author |
dc.contributor.none.fl_str_mv |
RCIPL |
dc.contributor.author.fl_str_mv |
Kumar, Sarvesh Pereira, Pedro Garcia, Gustavo Limão-Vieira, Paulo |
dc.subject.por.fl_str_mv |
Chlorine anion (Cl−) Kinetic energy release distributions (KERDs) Chlorobenzene Electron transfer experiments |
topic |
Chlorine anion (Cl−) Kinetic energy release distributions (KERDs) Chlorobenzene Electron transfer experiments |
description |
We report a novel and comprehensive analysis of the chlorine anion (Cl−) kinetic energy release distributions (KERDs) from electron transfer experiments at 12, 40 and 118 eV collision energies in the centre-of-mass frame. These distributions have been obtained from the shape and width of Cl− time-offlight mass spectra from collisions of neutral potassium (K) atoms with a set of selected neutral chlorinated compounds, viz. C6H5Cl, C6D5Cl, C6H11Cl and C6Cl6. The reactions producing bond breaking of the temporary negative ions formed with an excess of internal energy in such collisions, are a result of intramolecular energy redistribution through the different available degrees of freedom due to statistical degradation via vibrational excitation and partly due to direct transformation into translational energy of the fragment anions. The Cl− low-energy kinetic energy release, εd, has been fitted with a statistical function and the role of the different available resonances in the collision dynamics has been discussed, allowing therefore to obtain relevant information on the electronic structure involved in negative ion formation. From Cl− kinetic-energy release maxima as a function of the collision energy, C6Cl6 shows the lowest values which have been attributed to the strong competition with the parent anion formation. In contrast, C6H11Cl shows the highest values which result from this molecular system having no π delocalized electrons over the ring, and the electronic state spectroscopy is mostly dictated by relevant σ* antibonding character along the C–Cl coordinate. |
publishDate |
2021 |
dc.date.none.fl_str_mv |
2021-11 2021-11-01T00:00:00Z 2022-07-14T14:16:14Z |
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 |
http://hdl.handle.net/10400.21/14836 |
url |
http://hdl.handle.net/10400.21/14836 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
KUMAR, Sarvesh; [et al] – Cl− kinetic-energy release distributions from chlorobenzene and related molecules in electron transfer experiments. European Physical Journal D. ISSN 1434-6060. Vol. 75, N.º 11 (2021), pp. 1-10. 1434-6060 10.1140/epjd/s10053-021-00307-0 1434-6079 |
dc.rights.driver.fl_str_mv |
metadata only access info:eu-repo/semantics/openAccess |
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metadata only access |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Springer |
publisher.none.fl_str_mv |
Springer |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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