Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study

The valence electronic properties of S-ethyl flouromethanethioate (S-ethyl fluoromethsanethioate), FC(O)SCH2CH3, were investigated by means of He(I) photoelectron spectroscopy in conjunction with the analysis of the photofragmentation products determined by PEPICO (phtoelectron-photoion- coincidence...

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Autores: Rodriguez Pirani, Lucas Sebastian, Erben, Mauricio Federico, Gerones, Mariana, Romano, Rosana Mariel, Cavasso Filho, Reinaldo L., Ma, Chunping, Ge, Maofa, Della Védova, Carlos Omar
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2014
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/93256
Acceso en línea:http://hdl.handle.net/11336/93256
Access Level:acceso abierto
Palabra clave:Electronic Properties
Photodissociation
Photoionization
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
id AR_8ac5e502c99f6ff407c8d382fa1bd00a
oai_identifier_str oai:ri.conicet.gov.ar:11336/93256
network_acronym_str AR
network_name_str Argentina
repository_id_str
dc.title.none.fl_str_mv Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
title Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
spellingShingle Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
Rodriguez Pirani, Lucas Sebastian
Electronic Properties
Photodissociation
Photoionization
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
title_short Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
title_full Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
title_fullStr Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
title_full_unstemmed Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
title_sort Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
dc.creator.none.fl_str_mv Rodriguez Pirani, Lucas Sebastian
Erben, Mauricio Federico
Gerones, Mariana
Romano, Rosana Mariel
Cavasso Filho, Reinaldo L.
Ma, Chunping
Ge, Maofa
Della Védova, Carlos Omar
author Rodriguez Pirani, Lucas Sebastian
author_facet Rodriguez Pirani, Lucas Sebastian
Erben, Mauricio Federico
Gerones, Mariana
Romano, Rosana Mariel
Cavasso Filho, Reinaldo L.
Ma, Chunping
Ge, Maofa
Della Védova, Carlos Omar
author_role author
author2 Erben, Mauricio Federico
Gerones, Mariana
Romano, Rosana Mariel
Cavasso Filho, Reinaldo L.
Ma, Chunping
Ge, Maofa
Della Védova, Carlos Omar
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Electronic Properties
Photodissociation
Photoionization
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
topic Electronic Properties
Photodissociation
Photoionization
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
description The valence electronic properties of S-ethyl flouromethanethioate (S-ethyl fluoromethsanethioate), FC(O)SCH2CH3, were investigated by means of He(I) photoelectron spectroscopy in conjunction with the analysis of the photofragmentation products determined by PEPICO (phtoelectron-photoion- coincidence) by using synchrotron radiation in the 11.1-21.6 eV photon energy range. The first band observed at 10.28 eV in the HeI photoelectron spectrum can be assigned with confidence to the ionization process from the HOMO [n π(S) orbital], which is described as a lone pair formally localized on the sulfur atom, in agreement with quantum chemical calculations using the outer valence Green function method [OVGF/6-311++G (d,p)]. One of the most important fragmentation channels also observed in the valence region corresponds to the decarbonylation process yielding the [M-CO] ·+ ion, which is clearly observed at m/z = 80. Moreover, S 2p and S 2s absorption edges have been examined by measuring the total ion yield spectra in the 160-240 eV region using variable synchrotron radiation. The dynamic of ionic fragmentation following the Auger electronic decay has been evaluated with the help of the PEPIPICO (photoion-photoion-photoelectron- coincidence spectra) technique.
publishDate 2014
dc.date.none.fl_str_mv 2014-08
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/93256
Rodriguez Pirani, Lucas Sebastian; Erben, Mauricio Federico; Gerones, Mariana; Romano, Rosana Mariel; Cavasso Filho, Reinaldo L.; et al.; Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study; American Chemical Society; Journal of Physical Chemistry A; 118; 31; 8-2014; 5950-5960
1089-5639
CONICET Digital
CONICET
url http://hdl.handle.net/11336/93256
identifier_str_mv Rodriguez Pirani, Lucas Sebastian; Erben, Mauricio Federico; Gerones, Mariana; Romano, Rosana Mariel; Cavasso Filho, Reinaldo L.; et al.; Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study; American Chemical Society; Journal of Physical Chemistry A; 118; 31; 8-2014; 5950-5960
1089-5639
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/jp412564u
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp412564u
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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spelling Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation studyRodriguez Pirani, Lucas SebastianErben, Mauricio FedericoGerones, MarianaRomano, Rosana MarielCavasso Filho, Reinaldo L.Ma, ChunpingGe, MaofaDella Védova, Carlos OmarElectronic PropertiesPhotodissociationPhotoionizationhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The valence electronic properties of S-ethyl flouromethanethioate (S-ethyl fluoromethsanethioate), FC(O)SCH2CH3, were investigated by means of He(I) photoelectron spectroscopy in conjunction with the analysis of the photofragmentation products determined by PEPICO (phtoelectron-photoion- coincidence) by using synchrotron radiation in the 11.1-21.6 eV photon energy range. The first band observed at 10.28 eV in the HeI photoelectron spectrum can be assigned with confidence to the ionization process from the HOMO [n π(S) orbital], which is described as a lone pair formally localized on the sulfur atom, in agreement with quantum chemical calculations using the outer valence Green function method [OVGF/6-311++G (d,p)]. One of the most important fragmentation channels also observed in the valence region corresponds to the decarbonylation process yielding the [M-CO] ·+ ion, which is clearly observed at m/z = 80. Moreover, S 2p and S 2s absorption edges have been examined by measuring the total ion yield spectra in the 160-240 eV region using variable synchrotron radiation. The dynamic of ionic fragmentation following the Auger electronic decay has been evaluated with the help of the PEPIPICO (photoion-photoion-photoelectron- coincidence spectra) technique.Fil: Rodriguez Pirani, Lucas Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Erben, Mauricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Gerones, Mariana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Cavasso Filho, Reinaldo L.. Universidade Federal Do Abc;Fil: Ma, Chunping. Institute Of Chemistry Chinese Academy Of Sciences; ChinaFil: Ge, Maofa. Institute Of Chemistry Chinese Academy Of Sciences; ChinaFil: Della Védova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaAmerican Chemical Society2014-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/93256Rodriguez Pirani, Lucas Sebastian; Erben, Mauricio Federico; Gerones, Mariana; Romano, Rosana Mariel; Cavasso Filho, Reinaldo L.; et al.; Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study; American Chemical Society; Journal of Physical Chemistry A; 118; 31; 8-2014; 5950-59601089-5639CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp412564uinfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp412564uinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T14:04:17Zoai:ri.conicet.gov.ar:11336/93256instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982024-05-08 14:04:17.914CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
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