Electronic properties of FC(O)SCH2CH3: A combined helium(I) photoelectron spectroscopy and synchrotron radiation study
- 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
- Año de publicación
- 2014
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- 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.
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"; Argentina
Fil: 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"; Argentina
Fil: 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"; Argentina
Fil: 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"; Argentina
Fil: Cavasso Filho, Reinaldo L.. Universidade Federal Do Abc;
Fil: Ma, Chunping. Institute Of Chemistry Chinese Academy Of Sciences; China
Fil: Ge, Maofa. Institute Of Chemistry Chinese Academy Of Sciences; China
Fil: 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"; Argentina - Materia
-
Electronic Properties
Photodissociation
Photoionization - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by/2.5/ar/
- Repositorio
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/93256
Ver los metadatos del registro completo
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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 Técnicas2025-10-22T11:44:09Zoai: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:34982025-10-22 11:44:09.889CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| 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 |
| 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 |
| topic |
Electronic Properties Photodissociation Photoionization |
| purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
| dc.description.none.fl_txt_mv |
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. 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"; Argentina Fil: 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"; Argentina Fil: 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"; Argentina Fil: 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"; Argentina Fil: Cavasso Filho, Reinaldo L.. Universidade Federal Do Abc; Fil: Ma, Chunping. Institute Of Chemistry Chinese Academy Of Sciences; China Fil: Ge, Maofa. Institute Of Chemistry Chinese Academy Of Sciences; China Fil: 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"; Argentina |
| 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 |
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article |
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publishedVersion |
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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 |
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eng |
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eng |
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info:eu-repo/semantics/altIdentifier/doi/10.1021/jp412564u info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp412564u |
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openAccess |
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application/pdf application/pdf application/pdf application/pdf application/pdf |
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American Chemical Society |
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American Chemical Society |
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CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
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dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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