The Structure and Conformation of (CH3)3CSNO

Autores
Canneva, Antonela; Erben, Mauricio Federico; Romano, Rosana Mariel; Vishnevskiy, Yury V.; Reuter, Christian G.; Mitzel, Norbert W.; Della Védova, Carlos Omar
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The gas-phase molecular structure of (CH3)3CSNO was investigated by using electron diffraction, allowing the first experimental geometrical parameters for an S-nitrosothiol species to be elucidated. Depending on the orientation of the SNO group, two conformers (anti and syn) are identified in the vapor of (CH3)3CSNO at room temperature, the syn conformer being less abundant. The conformational landscape is further scrutinized by using vibrational spectroscopy techniques, including gas-phase and matrix-isolation IR spectroscopy, resulting in a contribution of ca. 80:20 for the anti:syn abundance ratio, in good agreement with the computed value at the MP2(full)/cc-pVTZ level of approximation. The UV/Vis and resonance Raman spectra also show the occurrence of the conformational equilibrium in the liquid phase, with a moderate post-resonance Raman signature associated with the 350 nm electronic absorption.
Fil: Canneva, Antonela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; Argentina
Fil: Erben, Mauricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; Argentina
Fil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; Argentina
Fil: Vishnevskiy, Yury V.. Universitat Bielefeld; Alemania
Fil: Reuter, Christian G.. Universitat Bielefeld; Alemania
Fil: Mitzel, Norbert W.. Universitat Bielefeld; Alemania
Fil: Della Védova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; Argentina
Materia
Gas-Phase Electron Diffraction
Matrix Ir Spectroscopy
Photochemistry
Resonance Raman Spectroscopy
S-Nitrosothiols
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:11336/48615
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling The Structure and Conformation of (CH3)3CSNOCanneva, AntonelaErben, Mauricio FedericoRomano, Rosana MarielVishnevskiy, Yury V.Reuter, Christian G.Mitzel, Norbert W.Della Védova, Carlos OmarGas-Phase Electron DiffractionMatrix Ir SpectroscopyPhotochemistryResonance Raman SpectroscopyS-Nitrosothiolshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The gas-phase molecular structure of (CH3)3CSNO was investigated by using electron diffraction, allowing the first experimental geometrical parameters for an S-nitrosothiol species to be elucidated. Depending on the orientation of the SNO group, two conformers (anti and syn) are identified in the vapor of (CH3)3CSNO at room temperature, the syn conformer being less abundant. The conformational landscape is further scrutinized by using vibrational spectroscopy techniques, including gas-phase and matrix-isolation IR spectroscopy, resulting in a contribution of ca. 80:20 for the anti:syn abundance ratio, in good agreement with the computed value at the MP2(full)/cc-pVTZ level of approximation. The UV/Vis and resonance Raman spectra also show the occurrence of the conformational equilibrium in the liquid phase, with a moderate post-resonance Raman signature associated with the 350 nm electronic absorption.Fil: Canneva, Antonela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; ArgentinaFil: Erben, Mauricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; ArgentinaFil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; ArgentinaFil: Vishnevskiy, Yury V.. Universitat Bielefeld; AlemaniaFil: Reuter, Christian G.. Universitat Bielefeld; AlemaniaFil: Mitzel, Norbert W.. Universitat Bielefeld; AlemaniaFil: Della Védova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; ArgentinaWiley VCH Verlag2015-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/48615Canneva, Antonela; Erben, Mauricio Federico; Romano, Rosana Mariel; Vishnevskiy, Yury V.; Reuter, Christian G.; et al.; The Structure and Conformation of (CH3)3CSNO; Wiley VCH Verlag; Chemistry- A European Journal; 21; 29; 7-2015; 10436-104420947-6539CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1002/chem.201500811info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201500811info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:04:06Zoai:ri.conicet.gov.ar:11336/48615instacron: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 10:04:06.862CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The Structure and Conformation of (CH3)3CSNO
title The Structure and Conformation of (CH3)3CSNO
spellingShingle The Structure and Conformation of (CH3)3CSNO
Canneva, Antonela
Gas-Phase Electron Diffraction
Matrix Ir Spectroscopy
Photochemistry
Resonance Raman Spectroscopy
S-Nitrosothiols
title_short The Structure and Conformation of (CH3)3CSNO
title_full The Structure and Conformation of (CH3)3CSNO
title_fullStr The Structure and Conformation of (CH3)3CSNO
title_full_unstemmed The Structure and Conformation of (CH3)3CSNO
title_sort The Structure and Conformation of (CH3)3CSNO
dc.creator.none.fl_str_mv Canneva, Antonela
Erben, Mauricio Federico
Romano, Rosana Mariel
Vishnevskiy, Yury V.
Reuter, Christian G.
Mitzel, Norbert W.
Della Védova, Carlos Omar
author Canneva, Antonela
author_facet Canneva, Antonela
Erben, Mauricio Federico
Romano, Rosana Mariel
Vishnevskiy, Yury V.
Reuter, Christian G.
Mitzel, Norbert W.
Della Védova, Carlos Omar
author_role author
author2 Erben, Mauricio Federico
Romano, Rosana Mariel
Vishnevskiy, Yury V.
Reuter, Christian G.
Mitzel, Norbert W.
Della Védova, Carlos Omar
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Gas-Phase Electron Diffraction
Matrix Ir Spectroscopy
Photochemistry
Resonance Raman Spectroscopy
S-Nitrosothiols
topic Gas-Phase Electron Diffraction
Matrix Ir Spectroscopy
Photochemistry
Resonance Raman Spectroscopy
S-Nitrosothiols
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 gas-phase molecular structure of (CH3)3CSNO was investigated by using electron diffraction, allowing the first experimental geometrical parameters for an S-nitrosothiol species to be elucidated. Depending on the orientation of the SNO group, two conformers (anti and syn) are identified in the vapor of (CH3)3CSNO at room temperature, the syn conformer being less abundant. The conformational landscape is further scrutinized by using vibrational spectroscopy techniques, including gas-phase and matrix-isolation IR spectroscopy, resulting in a contribution of ca. 80:20 for the anti:syn abundance ratio, in good agreement with the computed value at the MP2(full)/cc-pVTZ level of approximation. The UV/Vis and resonance Raman spectra also show the occurrence of the conformational equilibrium in the liquid phase, with a moderate post-resonance Raman signature associated with the 350 nm electronic absorption.
Fil: Canneva, Antonela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; Argentina
Fil: Erben, Mauricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; Argentina
Fil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; Argentina
Fil: Vishnevskiy, Yury V.. Universitat Bielefeld; Alemania
Fil: Reuter, Christian G.. Universitat Bielefeld; Alemania
Fil: Mitzel, Norbert W.. Universitat Bielefeld; Alemania
Fil: Della Védova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica ; Argentina
description The gas-phase molecular structure of (CH3)3CSNO was investigated by using electron diffraction, allowing the first experimental geometrical parameters for an S-nitrosothiol species to be elucidated. Depending on the orientation of the SNO group, two conformers (anti and syn) are identified in the vapor of (CH3)3CSNO at room temperature, the syn conformer being less abundant. The conformational landscape is further scrutinized by using vibrational spectroscopy techniques, including gas-phase and matrix-isolation IR spectroscopy, resulting in a contribution of ca. 80:20 for the anti:syn abundance ratio, in good agreement with the computed value at the MP2(full)/cc-pVTZ level of approximation. The UV/Vis and resonance Raman spectra also show the occurrence of the conformational equilibrium in the liquid phase, with a moderate post-resonance Raman signature associated with the 350 nm electronic absorption.
publishDate 2015
dc.date.none.fl_str_mv 2015-07
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/11336/48615
Canneva, Antonela; Erben, Mauricio Federico; Romano, Rosana Mariel; Vishnevskiy, Yury V.; Reuter, Christian G.; et al.; The Structure and Conformation of (CH3)3CSNO; Wiley VCH Verlag; Chemistry- A European Journal; 21; 29; 7-2015; 10436-10442
0947-6539
CONICET Digital
CONICET
url http://hdl.handle.net/11336/48615
identifier_str_mv Canneva, Antonela; Erben, Mauricio Federico; Romano, Rosana Mariel; Vishnevskiy, Yury V.; Reuter, Christian G.; et al.; The Structure and Conformation of (CH3)3CSNO; Wiley VCH Verlag; Chemistry- A European Journal; 21; 29; 7-2015; 10436-10442
0947-6539
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1002/chem.201500811
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201500811
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
dc.publisher.none.fl_str_mv Wiley VCH Verlag
publisher.none.fl_str_mv Wiley VCH Verlag
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
_version_ 1844613864709160960
score 13.070432

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