Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV

Autores
Berrueta Martinez, Yanina; Bava, Yanina Belén; Erben, Mauricio Federico; Cavasso Filho, Reinaldo L.; Romano, Rosana Mariel; Della Védova, Carlos Omar
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The main inner shell ionization edges of gaseous CF3CF2CF2C(O)Cl, including Cl 2p, C 1s, O 1s, and F 1s, have been measured in Total Ion Yield (TIY) mode by using tunable synchrotron radiation, and several resonance transitions have been assigned with the help of quantum chemical calculations. Interestingly, resonance transitions observed in the C 1s region can be assigned to different carbon atoms in the molecule according to the degree of fluorine substitution. Ionic photofragmentation processes have been studied by time-of-flight mass spectrometry in the Photoelectron-Photoion-Coincidence (PEPICO) and Photoelectron-Photoion-Photoion-Coincidence (PEPIPICO) modes. These techniques revealed a "memory-lost" effect especially around the C 1s region, since the fragmentation events are independent of the energy range considered. Moreover, different fragmentation mechanisms were inferred from these spectra in the valence (13.0-21.0 eV) as well as in the inner (180.0-750.0 eV) electronic energy regions. The vibrational spectral features of CF3CF2CF2C(O)Cl have been interpreted in terms of a conformational equilibrium between two conformations (gauche and anti of the CC single bond with respect to the CCl one) at room temperature, as determined from quantum chemical calculations and the detailed analysis of the infrared spectrum.
Fil: Berrueta Martinez, Yanina. 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: Bava, Yanina Belén. 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: Cavasso Filho, Reinaldo L.. Universidade Federal do ABC; Brasil
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: 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
Syncrotron Radiation
Photoionization
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/38073
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eVBerrueta Martinez, YaninaBava, Yanina BelénErben, Mauricio FedericoCavasso Filho, Reinaldo L.Romano, Rosana MarielDella Védova, Carlos OmarSyncrotron RadiationPhotoionizationhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The main inner shell ionization edges of gaseous CF3CF2CF2C(O)Cl, including Cl 2p, C 1s, O 1s, and F 1s, have been measured in Total Ion Yield (TIY) mode by using tunable synchrotron radiation, and several resonance transitions have been assigned with the help of quantum chemical calculations. Interestingly, resonance transitions observed in the C 1s region can be assigned to different carbon atoms in the molecule according to the degree of fluorine substitution. Ionic photofragmentation processes have been studied by time-of-flight mass spectrometry in the Photoelectron-Photoion-Coincidence (PEPICO) and Photoelectron-Photoion-Photoion-Coincidence (PEPIPICO) modes. These techniques revealed a "memory-lost" effect especially around the C 1s region, since the fragmentation events are independent of the energy range considered. Moreover, different fragmentation mechanisms were inferred from these spectra in the valence (13.0-21.0 eV) as well as in the inner (180.0-750.0 eV) electronic energy regions. The vibrational spectral features of CF3CF2CF2C(O)Cl have been interpreted in terms of a conformational equilibrium between two conformations (gauche and anti of the CC single bond with respect to the CCl one) at room temperature, as determined from quantum chemical calculations and the detailed analysis of the infrared spectrum.Fil: Berrueta Martinez, Yanina. 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: Bava, Yanina Belén. 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: Cavasso Filho, Reinaldo L.. Universidade Federal do ABC; BrasilFil: 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: 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 Society2015-03info: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/11336/38073Berrueta Martinez, Yanina; Bava, Yanina Belén; Erben, Mauricio Federico; Cavasso Filho, Reinaldo L.; Romano, Rosana Mariel; et al.; Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV; American Chemical Society; Journal of Physical Chemistry A; 119; 10; 3-2015; 1894-19051089-5639CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp5122504info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp5122504info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:37:03Zoai:ri.conicet.gov.ar:11336/38073instacron: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:34982025-09-29 09:37:03.582CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV
title Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV
spellingShingle Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV
Berrueta Martinez, Yanina
Syncrotron Radiation
Photoionization
title_short Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV
title_full Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV
title_fullStr Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV
title_full_unstemmed Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV
title_sort Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV
dc.creator.none.fl_str_mv Berrueta Martinez, Yanina
Bava, Yanina Belén
Erben, Mauricio Federico
Cavasso Filho, Reinaldo L.
Romano, Rosana Mariel
Della Védova, Carlos Omar
author Berrueta Martinez, Yanina
author_facet Berrueta Martinez, Yanina
Bava, Yanina Belén
Erben, Mauricio Federico
Cavasso Filho, Reinaldo L.
Romano, Rosana Mariel
Della Védova, Carlos Omar
author_role author
author2 Bava, Yanina Belén
Erben, Mauricio Federico
Cavasso Filho, Reinaldo L.
Romano, Rosana Mariel
Della Védova, Carlos Omar
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Syncrotron Radiation
Photoionization
topic Syncrotron Radiation
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 main inner shell ionization edges of gaseous CF3CF2CF2C(O)Cl, including Cl 2p, C 1s, O 1s, and F 1s, have been measured in Total Ion Yield (TIY) mode by using tunable synchrotron radiation, and several resonance transitions have been assigned with the help of quantum chemical calculations. Interestingly, resonance transitions observed in the C 1s region can be assigned to different carbon atoms in the molecule according to the degree of fluorine substitution. Ionic photofragmentation processes have been studied by time-of-flight mass spectrometry in the Photoelectron-Photoion-Coincidence (PEPICO) and Photoelectron-Photoion-Photoion-Coincidence (PEPIPICO) modes. These techniques revealed a "memory-lost" effect especially around the C 1s region, since the fragmentation events are independent of the energy range considered. Moreover, different fragmentation mechanisms were inferred from these spectra in the valence (13.0-21.0 eV) as well as in the inner (180.0-750.0 eV) electronic energy regions. The vibrational spectral features of CF3CF2CF2C(O)Cl have been interpreted in terms of a conformational equilibrium between two conformations (gauche and anti of the CC single bond with respect to the CCl one) at room temperature, as determined from quantum chemical calculations and the detailed analysis of the infrared spectrum.
Fil: Berrueta Martinez, Yanina. 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: Bava, Yanina Belén. 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: Cavasso Filho, Reinaldo L.. Universidade Federal do ABC; Brasil
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: 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 main inner shell ionization edges of gaseous CF3CF2CF2C(O)Cl, including Cl 2p, C 1s, O 1s, and F 1s, have been measured in Total Ion Yield (TIY) mode by using tunable synchrotron radiation, and several resonance transitions have been assigned with the help of quantum chemical calculations. Interestingly, resonance transitions observed in the C 1s region can be assigned to different carbon atoms in the molecule according to the degree of fluorine substitution. Ionic photofragmentation processes have been studied by time-of-flight mass spectrometry in the Photoelectron-Photoion-Coincidence (PEPICO) and Photoelectron-Photoion-Photoion-Coincidence (PEPIPICO) modes. These techniques revealed a "memory-lost" effect especially around the C 1s region, since the fragmentation events are independent of the energy range considered. Moreover, different fragmentation mechanisms were inferred from these spectra in the valence (13.0-21.0 eV) as well as in the inner (180.0-750.0 eV) electronic energy regions. The vibrational spectral features of CF3CF2CF2C(O)Cl have been interpreted in terms of a conformational equilibrium between two conformations (gauche and anti of the CC single bond with respect to the CCl one) at room temperature, as determined from quantum chemical calculations and the detailed analysis of the infrared spectrum.
publishDate 2015
dc.date.none.fl_str_mv 2015-03
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/11336/38073
Berrueta Martinez, Yanina; Bava, Yanina Belén; Erben, Mauricio Federico; Cavasso Filho, Reinaldo L.; Romano, Rosana Mariel; et al.; Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV; American Chemical Society; Journal of Physical Chemistry A; 119; 10; 3-2015; 1894-1905
1089-5639
CONICET Digital
CONICET
url http://hdl.handle.net/11336/38073
identifier_str_mv Berrueta Martinez, Yanina; Bava, Yanina Belén; Erben, Mauricio Federico; Cavasso Filho, Reinaldo L.; Romano, Rosana Mariel; et al.; Photoexcitation, Photoionization, and Photofragmentantion of CF3CF2CF2C(O)Cl Using Synchrotron Radiation between 13 and 720 eV; American Chemical Society; Journal of Physical Chemistry A; 119; 10; 3-2015; 1894-1905
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/jp5122504
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp5122504
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/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
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
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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score 13.070432

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