Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]

Autores
Cánneva, Antonela; Cavasso Filho, Reinaldo L.; Romano, Rosana Mariel; Della Védova, Carlos Omar; Tong, Shengrui; Ge, Maofa; Erben, Mauricio Federico
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The gas phase electronic properties of thionitrites (RSNO) in both the outermost (valence) and the shallow-core regions (S 2p) are experimentally studied for the first time by using photoelectron spectroscopy and synchrotron radiation in the VUV range with time-of-flight mass spectrometry in the Photoelectron Photoion Coincidence (PEPICO) mode. The He(I) photoelectron spectrum of tert-butyl thionitrite, (CH3)3CSNO, has been recorded and analyzed with the assistance of quantum chemical calculations. Furthermore, the dissociative photoionization mechanisms for two close related secondary and tertiary species, namely iso-propyl thionitrite, (CH3)2HCSNO (I) and (CH3)3CSNO (II), have been determined irradiating gaseous beams with photons in the 155–185 eV range, i. e. exciting and ionizing S 2p electrons of the central –SNO group. The branching ratio of ions produced on this way is analyzed allowing for a clear description of the main fragmentation channels operating after the electronic decay.
Facultad de Ciencias Exactas
Centro de Química Inorgánica
Materia
Ciencias Exactas
Química
electronic properties
electronic structure
S-nitrosothiols
synchrotron radiation
photodissociation
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/105936
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/105936
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]Cánneva, AntonelaCavasso Filho, Reinaldo L.Romano, Rosana MarielDella Védova, Carlos OmarTong, ShengruiGe, MaofaErben, Mauricio FedericoCiencias ExactasQuímicaelectronic propertieselectronic structureS-nitrosothiolssynchrotron radiationphotodissociationThe gas phase electronic properties of thionitrites (RSNO) in both the outermost (valence) and the shallow-core regions (S 2p) are experimentally studied for the first time by using photoelectron spectroscopy and synchrotron radiation in the VUV range with time-of-flight mass spectrometry in the Photoelectron Photoion Coincidence (PEPICO) mode. The He(I) photoelectron spectrum of <i>tert</i>-butyl thionitrite, (CH<sub>3</sub>)<sub>3</sub>CSNO, has been recorded and analyzed with the assistance of quantum chemical calculations. Furthermore, the dissociative photoionization mechanisms for two close related secondary and tertiary species, namely <i>iso</i>-propyl thionitrite, (CH<sub>3</sub>)<sub>2</sub>HCSNO (I) and (CH<sub>3</sub>)<sub>3</sub>CSNO (II), have been determined irradiating gaseous beams with photons in the 155–185 eV range, i. e. exciting and ionizing S 2p electrons of the central –SNO group. The branching ratio of ions produced on this way is analyzed allowing for a clear description of the main fragmentation channels operating after the electronic decay.Facultad de Ciencias ExactasCentro de Química Inorgánica2017info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf2021-2027http://sedici.unlp.edu.ar/handle/10915/105936enginfo:eu-repo/semantics/altIdentifier/url/https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/slct.201602002info:eu-repo/semantics/altIdentifier/issn/2365-6549info:eu-repo/semantics/altIdentifier/doi/10.1002/slct.201602002info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:23:42Zoai:sedici.unlp.edu.ar:10915/105936Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:23:43.158SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]
title Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]
spellingShingle Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]
Cánneva, Antonela
Ciencias Exactas
Química
electronic properties
electronic structure
S-nitrosothiols
synchrotron radiation
photodissociation
title_short Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]
title_full Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]
title_fullStr Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]
title_full_unstemmed Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]
title_sort Electronic Properties and Ionic Photodissociation of Thionitrite Compounds RSNO [R=(CH<sub>3</sub>)<sub>3</sub>C– and (CH<sub>3</sub>)<sub>2</sub>CH–]
dc.creator.none.fl_str_mv Cánneva, Antonela
Cavasso Filho, Reinaldo L.
Romano, Rosana Mariel
Della Védova, Carlos Omar
Tong, Shengrui
Ge, Maofa
Erben, Mauricio Federico
author Cánneva, Antonela
author_facet Cánneva, Antonela
Cavasso Filho, Reinaldo L.
Romano, Rosana Mariel
Della Védova, Carlos Omar
Tong, Shengrui
Ge, Maofa
Erben, Mauricio Federico
author_role author
author2 Cavasso Filho, Reinaldo L.
Romano, Rosana Mariel
Della Védova, Carlos Omar
Tong, Shengrui
Ge, Maofa
Erben, Mauricio Federico
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Química
electronic properties
electronic structure
S-nitrosothiols
synchrotron radiation
photodissociation
topic Ciencias Exactas
Química
electronic properties
electronic structure
S-nitrosothiols
synchrotron radiation
photodissociation
dc.description.none.fl_txt_mv The gas phase electronic properties of thionitrites (RSNO) in both the outermost (valence) and the shallow-core regions (S 2p) are experimentally studied for the first time by using photoelectron spectroscopy and synchrotron radiation in the VUV range with time-of-flight mass spectrometry in the Photoelectron Photoion Coincidence (PEPICO) mode. The He(I) photoelectron spectrum of <i>tert</i>-butyl thionitrite, (CH<sub>3</sub>)<sub>3</sub>CSNO, has been recorded and analyzed with the assistance of quantum chemical calculations. Furthermore, the dissociative photoionization mechanisms for two close related secondary and tertiary species, namely <i>iso</i>-propyl thionitrite, (CH<sub>3</sub>)<sub>2</sub>HCSNO (I) and (CH<sub>3</sub>)<sub>3</sub>CSNO (II), have been determined irradiating gaseous beams with photons in the 155–185 eV range, i. e. exciting and ionizing S 2p electrons of the central –SNO group. The branching ratio of ions produced on this way is analyzed allowing for a clear description of the main fragmentation channels operating after the electronic decay.
Facultad de Ciencias Exactas
Centro de Química Inorgánica
description The gas phase electronic properties of thionitrites (RSNO) in both the outermost (valence) and the shallow-core regions (S 2p) are experimentally studied for the first time by using photoelectron spectroscopy and synchrotron radiation in the VUV range with time-of-flight mass spectrometry in the Photoelectron Photoion Coincidence (PEPICO) mode. The He(I) photoelectron spectrum of <i>tert</i>-butyl thionitrite, (CH<sub>3</sub>)<sub>3</sub>CSNO, has been recorded and analyzed with the assistance of quantum chemical calculations. Furthermore, the dissociative photoionization mechanisms for two close related secondary and tertiary species, namely <i>iso</i>-propyl thionitrite, (CH<sub>3</sub>)<sub>2</sub>HCSNO (I) and (CH<sub>3</sub>)<sub>3</sub>CSNO (II), have been determined irradiating gaseous beams with photons in the 155–185 eV range, i. e. exciting and ionizing S 2p electrons of the central –SNO group. The branching ratio of ions produced on this way is analyzed allowing for a clear description of the main fragmentation channels operating after the electronic decay.
publishDate 2017
dc.date.none.fl_str_mv 2017
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/105936
url http://sedici.unlp.edu.ar/handle/10915/105936
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/slct.201602002
info:eu-repo/semantics/altIdentifier/issn/2365-6549
info:eu-repo/semantics/altIdentifier/doi/10.1002/slct.201602002
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.format.none.fl_str_mv application/pdf
2021-2027
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.070432

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