Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3

Autores
García, Plácido; Willner, Helge; Burgos Paci, Maximiliano Alberto; Argüello, Gustavo Alejandro; Berends, Thorsten
Año de publicación
2005
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The synthesis of the new compound, bis(trifluoromethyl)dicarbonate, CF3OC(O)OC(O)OCF3, is carried out by reduction of bis(tri-fluoromethyl)trioxidicarbonate with excess of CO at 0 8C. The product is characterized by IR, Raman, 13C and 19F NMR spectroscopy and itsproperties are compared with those of the other members of the series CF3OC(O)OxC(O)OCF3, x = 0–3. Single crystals are grown at À25 8Cand the X-ray diffraction analysis shows the packing of syn–syn rotamers exhibiting C2 symmetry. DFT calculations predict this rotamer as themost stable one and also structural and vibrational data are predicted reasonably well.
Fil: García, Plácido. Bergische Universitat; Alemania
Fil: Willner, Helge. Bergische Universitat; Alemania
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
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: Berends, Thorsten. No especifíca;
Materia
Density functional calculations
Photochemistry
Radicals
Vibrational spectroscopy
X-ray diffraction
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:11336/279660
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3García, PlácidoWillner, HelgeBurgos Paci, Maximiliano AlbertoArgüello, Gustavo AlejandroBerends, ThorstenDensity functional calculationsPhotochemistryRadicalsVibrational spectroscopyX-ray diffractionhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The synthesis of the new compound, bis(trifluoromethyl)dicarbonate, CF3OC(O)OC(O)OCF3, is carried out by reduction of bis(tri-fluoromethyl)trioxidicarbonate with excess of CO at 0 8C. The product is characterized by IR, Raman, 13C and 19F NMR spectroscopy and itsproperties are compared with those of the other members of the series CF3OC(O)OxC(O)OCF3, x = 0–3. Single crystals are grown at À25 8Cand the X-ray diffraction analysis shows the packing of syn–syn rotamers exhibiting C2 symmetry. DFT calculations predict this rotamer as themost stable one and also structural and vibrational data are predicted reasonably well.Fil: García, Plácido. Bergische Universitat; AlemaniaFil: Willner, Helge. Bergische Universitat; AlemaniaFil: 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; 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: Berends, Thorsten. No especifíca;Elsevier Science SA2005-12info: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/11336/279660García, Plácido; Willner, Helge; Burgos Paci, Maximiliano Alberto; Argüello, Gustavo Alejandro; Berends, Thorsten; Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3; Elsevier Science SA; Journal of Fluorine Chemistry; 126; 6; 12-2005; 984-9900022-1139CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0022113905001296info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jfluchem.2005.05.002info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-02-06T13:31:35Zoai:ri.conicet.gov.ar:11336/279660instacron: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:34982026-02-06 13:31:36.0CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3
title Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3
spellingShingle Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3
García, Plácido
Density functional calculations
Photochemistry
Radicals
Vibrational spectroscopy
X-ray diffraction
title_short Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3
title_full Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3
title_fullStr Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3
title_full_unstemmed Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3
title_sort Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3
dc.creator.none.fl_str_mv García, Plácido
Willner, Helge
Burgos Paci, Maximiliano Alberto
Argüello, Gustavo Alejandro
Berends, Thorsten
author García, Plácido
author_facet García, Plácido
Willner, Helge
Burgos Paci, Maximiliano Alberto
Argüello, Gustavo Alejandro
Berends, Thorsten
author_role author
author2 Willner, Helge
Burgos Paci, Maximiliano Alberto
Argüello, Gustavo Alejandro
Berends, Thorsten
author2_role author
author
author
author
dc.subject.none.fl_str_mv Density functional calculations
Photochemistry
Radicals
Vibrational spectroscopy
X-ray diffraction
topic Density functional calculations
Photochemistry
Radicals
Vibrational spectroscopy
X-ray diffraction
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 synthesis of the new compound, bis(trifluoromethyl)dicarbonate, CF3OC(O)OC(O)OCF3, is carried out by reduction of bis(tri-fluoromethyl)trioxidicarbonate with excess of CO at 0 8C. The product is characterized by IR, Raman, 13C and 19F NMR spectroscopy and itsproperties are compared with those of the other members of the series CF3OC(O)OxC(O)OCF3, x = 0–3. Single crystals are grown at À25 8Cand the X-ray diffraction analysis shows the packing of syn–syn rotamers exhibiting C2 symmetry. DFT calculations predict this rotamer as themost stable one and also structural and vibrational data are predicted reasonably well.
Fil: García, Plácido. Bergische Universitat; Alemania
Fil: Willner, Helge. Bergische Universitat; Alemania
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
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: Berends, Thorsten. No especifíca;
description The synthesis of the new compound, bis(trifluoromethyl)dicarbonate, CF3OC(O)OC(O)OCF3, is carried out by reduction of bis(tri-fluoromethyl)trioxidicarbonate with excess of CO at 0 8C. The product is characterized by IR, Raman, 13C and 19F NMR spectroscopy and itsproperties are compared with those of the other members of the series CF3OC(O)OxC(O)OCF3, x = 0–3. Single crystals are grown at À25 8Cand the X-ray diffraction analysis shows the packing of syn–syn rotamers exhibiting C2 symmetry. DFT calculations predict this rotamer as themost stable one and also structural and vibrational data are predicted reasonably well.
publishDate 2005
dc.date.none.fl_str_mv 2005-12
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/11336/279660
García, Plácido; Willner, Helge; Burgos Paci, Maximiliano Alberto; Argüello, Gustavo Alejandro; Berends, Thorsten; Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3; Elsevier Science SA; Journal of Fluorine Chemistry; 126; 6; 12-2005; 984-990
0022-1139
CONICET Digital
CONICET
url http://hdl.handle.net/11336/279660
identifier_str_mv García, Plácido; Willner, Helge; Burgos Paci, Maximiliano Alberto; Argüello, Gustavo Alejandro; Berends, Thorsten; Bis(trifluoromethyl) dicarbonate, CF3OC(O)OC(O)OCF3; Elsevier Science SA; Journal of Fluorine Chemistry; 126; 6; 12-2005; 984-990
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/url/https://www.sciencedirect.com/science/article/abs/pii/S0022113905001296
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jfluchem.2005.05.002
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
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score 12.595271

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