Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule

Detalhes bibliográficos
Autor(a) principal: Ziegler, Patrick
Data de Publicação: 2021
Outros Autores: Pelc, Andrzej, Arthur-Baidoo, Eugene, Ameixa, João, Ončák, Milan, Denifl, Stephan
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/142521
Resumo: P30332
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spelling Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide moleculeChemistry(all)Chemical Engineering(all)P30332Nicotinamide (C6H6N2O) is a biologically relevant molecule. This compound has several important roles related to the anabolic and metabolic processes that take place in living organisms. It is also used as a radiosensitizer in tumor therapy. As a result of the interaction of high-energy radiation with matter, low-energy electrons are also released, which can also interact with other molecules, forming several types of ions. In the present investigation, dissociative electron attachment to C6H6N2O has been studied in a crossed electron-molecular beams experiment in the electron energy range of about 0-15 eV. In the experiment, six anionic species were detected: C6H5N2O-, C5H4N-, NCO-, O-/NH2-, and CN-, with NCO- being the most prominent anion. We also provide detailed computational results regarding the energetic thresholds and pathways of the respective dissociative electron attachment (DEA) channels. The experimental results are compared with the theoretical ones and on this basis, the possible DEA reactions for the formation of anions at a given resonance energy were assigned as well as the generation of neutrals fragments such as pyridine and its several derivatives and radicals are predicted. The pyridine ring seems to stay intact during the DEA process. This journal isCeFITec – Centro de Física e Investigação TecnológicaDF – Departamento de FísicaRUNZiegler, PatrickPelc, AndrzejArthur-Baidoo, EugeneAmeixa, JoãoOnčák, MilanDenifl, Stephan2022-07-27T22:26:13Z2021-09-132021-09-13T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10application/pdfhttp://hdl.handle.net/10362/142521eng2046-2069PURE: 45641313https://doi.org/10.1039/d1ra06083jinfo: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:RCAAP2024-03-11T05:20:16Zoai:run.unl.pt:10362/142521Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:50:21.773874Repositório 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 Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule
title Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule
spellingShingle Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule
Ziegler, Patrick
Chemistry(all)
Chemical Engineering(all)
title_short Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule
title_full Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule
title_fullStr Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule
title_full_unstemmed Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule
title_sort Negative ion formation and fragmentation upon dissociative electron attachment to the nicotinamide molecule
author Ziegler, Patrick
author_facet Ziegler, Patrick
Pelc, Andrzej
Arthur-Baidoo, Eugene
Ameixa, João
Ončák, Milan
Denifl, Stephan
author_role author
author2 Pelc, Andrzej
Arthur-Baidoo, Eugene
Ameixa, João
Ončák, Milan
Denifl, Stephan
author2_role 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 Ziegler, Patrick
Pelc, Andrzej
Arthur-Baidoo, Eugene
Ameixa, João
Ončák, Milan
Denifl, Stephan
dc.subject.por.fl_str_mv Chemistry(all)
Chemical Engineering(all)
topic Chemistry(all)
Chemical Engineering(all)
description P30332
publishDate 2021
dc.date.none.fl_str_mv 2021-09-13
2021-09-13T00:00:00Z
2022-07-27T22:26:13Z
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/10362/142521
url http://hdl.handle.net/10362/142521
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 2046-2069
PURE: 45641313
https://doi.org/10.1039/d1ra06083j
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 10
application/pdf
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
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
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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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