Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid Ar

Autores
Cozzarín, Melina Vanesa; Romano, Rosana Mariel
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The photochemistry of FC(O)SSCl isolated in solid Ar was investigated on the basis of the IR spectra of the matrices before and after different times of broad-band UV-visible irradiation. The first process occurring on broad-band UV-visible irradiation was the transformation of the syn-gauche form of FC (O)SSCl into the anti-gauche conformer. FC(O)SCl and ClFC=O were produced, involving the loss of one or two sulfur atoms, respectively. Other mechanisms have originated CO···ClSSF, OCS···ClSF, OCS···ClF, CO···ClSF and CS₂···ClF molecular complexes, identified by the comparison of the experimental IR spectra with that simulated with DFT (B3LYP/6-311+G*) calculations, with the exception of OCS···ClF, which was assigned on the basis of the comparison with reported IR absorptions.
Centro de Química Inorgánica
Materia
Ciencias Exactas
Química
Conformers
FTIR
Matrix-Isolation
Molecular Complexes
Photochemistry
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/147714
Acceder
id SEDICI_9f234645f4e5f9de689da334d7c0c98d
oai_identifier_str oai:sedici.unlp.edu.ar:10915/147714
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid ArCozzarín, Melina VanesaRomano, Rosana MarielCiencias ExactasQuímicaConformersFTIRMatrix-IsolationMolecular ComplexesPhotochemistryThe photochemistry of FC(O)SSCl isolated in solid Ar was investigated on the basis of the IR spectra of the matrices before and after different times of broad-band UV-visible irradiation. The first process occurring on broad-band UV-visible irradiation was the transformation of the syn-gauche form of FC (O)SSCl into the anti-gauche conformer. FC(O)SCl and ClFC=O were produced, involving the loss of one or two sulfur atoms, respectively. Other mechanisms have originated CO···ClSSF, OCS···ClSF, OCS···ClF, CO···ClSF and CS₂···ClF molecular complexes, identified by the comparison of the experimental IR spectra with that simulated with DFT (B3LYP/6-311+G*) calculations, with the exception of OCS···ClF, which was assigned on the basis of the comparison with reported IR absorptions.Centro de Química Inorgánica2017-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf4092-4098http://sedici.unlp.edu.ar/handle/10915/147714enginfo:eu-repo/semantics/altIdentifier/issn/2365-6549info:eu-repo/semantics/altIdentifier/doi/10.1002/slct.201700534info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:37:48Zoai:sedici.unlp.edu.ar:10915/147714Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:37:48.225SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid Ar
title Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid Ar
spellingShingle Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid Ar
Cozzarín, Melina Vanesa
Ciencias Exactas
Química
Conformers
FTIR
Matrix-Isolation
Molecular Complexes
Photochemistry
title_short Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid Ar
title_full Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid Ar
title_fullStr Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid Ar
title_full_unstemmed Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid Ar
title_sort Unimolecular Photochemical Mechanisms of FC(O)SSCl Isolated in Solid Ar
dc.creator.none.fl_str_mv Cozzarín, Melina Vanesa
Romano, Rosana Mariel
author Cozzarín, Melina Vanesa
author_facet Cozzarín, Melina Vanesa
Romano, Rosana Mariel
author_role author
author2 Romano, Rosana Mariel
author2_role author
dc.subject.none.fl_str_mv Ciencias Exactas
Química
Conformers
FTIR
Matrix-Isolation
Molecular Complexes
Photochemistry
topic Ciencias Exactas
Química
Conformers
FTIR
Matrix-Isolation
Molecular Complexes
Photochemistry
dc.description.none.fl_txt_mv The photochemistry of FC(O)SSCl isolated in solid Ar was investigated on the basis of the IR spectra of the matrices before and after different times of broad-band UV-visible irradiation. The first process occurring on broad-band UV-visible irradiation was the transformation of the syn-gauche form of FC (O)SSCl into the anti-gauche conformer. FC(O)SCl and ClFC=O were produced, involving the loss of one or two sulfur atoms, respectively. Other mechanisms have originated CO···ClSSF, OCS···ClSF, OCS···ClF, CO···ClSF and CS₂···ClF molecular complexes, identified by the comparison of the experimental IR spectra with that simulated with DFT (B3LYP/6-311+G*) calculations, with the exception of OCS···ClF, which was assigned on the basis of the comparison with reported IR absorptions.
Centro de Química Inorgánica
description The photochemistry of FC(O)SSCl isolated in solid Ar was investigated on the basis of the IR spectra of the matrices before and after different times of broad-band UV-visible irradiation. The first process occurring on broad-band UV-visible irradiation was the transformation of the syn-gauche form of FC (O)SSCl into the anti-gauche conformer. FC(O)SCl and ClFC=O were produced, involving the loss of one or two sulfur atoms, respectively. Other mechanisms have originated CO···ClSSF, OCS···ClSF, OCS···ClF, CO···ClSF and CS₂···ClF molecular complexes, identified by the comparison of the experimental IR spectra with that simulated with DFT (B3LYP/6-311+G*) calculations, with the exception of OCS···ClF, which was assigned on the basis of the comparison with reported IR absorptions.
publishDate 2017
dc.date.none.fl_str_mv 2017-05
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/10915/147714
url http://sedici.unlp.edu.ar/handle/10915/147714
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/2365-6549
info:eu-repo/semantics/altIdentifier/doi/10.1002/slct.201700534
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
4092-4098
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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