Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F

Autores
Manetti, Martin Diego; Argüello, Gustavo Alejandro; Burgos Paci, Maximiliano Alberto
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In the present work the synthesis of the trifluoromethoxyl fluoroformyl anhydride is presented for the first time. Two strategies were employed to obtain CF 3OC(O)OC(O)F: the thermal decomposition of CF 3OC(O)OOOC(O)F in excess of CO, and the reaction between CF 3OC(O)OOC(O)F, FC(O)OOC(O)F and CO. A mechanism was proposed taking into account reaction rates and thermal stability of the intermediates. DFT calculations at B3LYP/6-311+G* level were used to explore the conformational space of this molecule and the relative populations of conformers at room temperature, and to simulate the experimental vibrational spectrum. This molecule completes the family of the asymmetric oxygen bonded acyl compounds CF 3OC(O)OxC(O)F with x = 1-3. © 2012 Elsevier B.V. All rights reserved.
Fil: Manetti, Martin Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Argüello, Gustavo Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Burgos Paci, Maximiliano Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Materia
Dft Calculations
Fluorinated Radicals
Gas Phase Reaction Mechanism
Perfluorinated Anhydride
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:11336/62256
Acceder
id CONICETDig_170de3801af4f8d68b17c0e76b2d3bcc
oai_identifier_str oai:ri.conicet.gov.ar:11336/62256
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)FManetti, Martin DiegoArgüello, Gustavo AlejandroBurgos Paci, Maximiliano AlbertoDft CalculationsFluorinated RadicalsGas Phase Reaction MechanismPerfluorinated Anhydridehttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In the present work the synthesis of the trifluoromethoxyl fluoroformyl anhydride is presented for the first time. Two strategies were employed to obtain CF 3OC(O)OC(O)F: the thermal decomposition of CF 3OC(O)OOOC(O)F in excess of CO, and the reaction between CF 3OC(O)OOC(O)F, FC(O)OOC(O)F and CO. A mechanism was proposed taking into account reaction rates and thermal stability of the intermediates. DFT calculations at B3LYP/6-311+G* level were used to explore the conformational space of this molecule and the relative populations of conformers at room temperature, and to simulate the experimental vibrational spectrum. This molecule completes the family of the asymmetric oxygen bonded acyl compounds CF 3OC(O)OxC(O)F with x = 1-3. © 2012 Elsevier B.V. All rights reserved.Fil: Manetti, Martin Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Argüello, Gustavo Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Burgos Paci, Maximiliano Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaElsevier Science Sa2012-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/62256Manetti, Martin Diego; Argüello, Gustavo Alejandro; Burgos Paci, Maximiliano Alberto; Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F; Elsevier Science Sa; Journal of Fluorine Chemistry; 141; 9-2012; 16-200022-1139CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.jfluchem.2012.05.020info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022113912001716info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:32:33Zoai:ri.conicet.gov.ar:11336/62256instacron: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 10:32:33.41CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F
title Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F
spellingShingle Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F
Manetti, Martin Diego
Dft Calculations
Fluorinated Radicals
Gas Phase Reaction Mechanism
Perfluorinated Anhydride
title_short Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F
title_full Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F
title_fullStr Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F
title_full_unstemmed Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F
title_sort Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F
dc.creator.none.fl_str_mv Manetti, Martin Diego
Argüello, Gustavo Alejandro
Burgos Paci, Maximiliano Alberto
author Manetti, Martin Diego
author_facet Manetti, Martin Diego
Argüello, Gustavo Alejandro
Burgos Paci, Maximiliano Alberto
author_role author
author2 Argüello, Gustavo Alejandro
Burgos Paci, Maximiliano Alberto
author2_role author
author
dc.subject.none.fl_str_mv Dft Calculations
Fluorinated Radicals
Gas Phase Reaction Mechanism
Perfluorinated Anhydride
topic Dft Calculations
Fluorinated Radicals
Gas Phase Reaction Mechanism
Perfluorinated Anhydride
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In the present work the synthesis of the trifluoromethoxyl fluoroformyl anhydride is presented for the first time. Two strategies were employed to obtain CF 3OC(O)OC(O)F: the thermal decomposition of CF 3OC(O)OOOC(O)F in excess of CO, and the reaction between CF 3OC(O)OOC(O)F, FC(O)OOC(O)F and CO. A mechanism was proposed taking into account reaction rates and thermal stability of the intermediates. DFT calculations at B3LYP/6-311+G* level were used to explore the conformational space of this molecule and the relative populations of conformers at room temperature, and to simulate the experimental vibrational spectrum. This molecule completes the family of the asymmetric oxygen bonded acyl compounds CF 3OC(O)OxC(O)F with x = 1-3. © 2012 Elsevier B.V. All rights reserved.
Fil: Manetti, Martin Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Argüello, Gustavo Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Burgos Paci, Maximiliano Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
description In the present work the synthesis of the trifluoromethoxyl fluoroformyl anhydride is presented for the first time. Two strategies were employed to obtain CF 3OC(O)OC(O)F: the thermal decomposition of CF 3OC(O)OOOC(O)F in excess of CO, and the reaction between CF 3OC(O)OOC(O)F, FC(O)OOC(O)F and CO. A mechanism was proposed taking into account reaction rates and thermal stability of the intermediates. DFT calculations at B3LYP/6-311+G* level were used to explore the conformational space of this molecule and the relative populations of conformers at room temperature, and to simulate the experimental vibrational spectrum. This molecule completes the family of the asymmetric oxygen bonded acyl compounds CF 3OC(O)OxC(O)F with x = 1-3. © 2012 Elsevier B.V. All rights reserved.
publishDate 2012
dc.date.none.fl_str_mv 2012-09
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/11336/62256
Manetti, Martin Diego; Argüello, Gustavo Alejandro; Burgos Paci, Maximiliano Alberto; Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F; Elsevier Science Sa; Journal of Fluorine Chemistry; 141; 9-2012; 16-20
0022-1139
CONICET Digital
CONICET
url http://hdl.handle.net/11336/62256
identifier_str_mv Manetti, Martin Diego; Argüello, Gustavo Alejandro; Burgos Paci, Maximiliano Alberto; Synthesis and properties of trifluoromethoxyl fluoroformyl anhydride, CF 3OC(O)OC(O)F; Elsevier Science Sa; Journal of Fluorine Chemistry; 141; 9-2012; 16-20
0022-1139
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jfluchem.2012.05.020
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022113912001716
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
dc.publisher.none.fl_str_mv Elsevier Science Sa
publisher.none.fl_str_mv Elsevier Science Sa
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_ 1844614339499130880
score 13.070432

Publicaciones similares