Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation

Autores
Della Vedova, Carlos Omar; Romano, Rosana Mariel; Stammler, Hans Georg; Mitzel, Norbert W.
Año de publicación
2025
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Perfluoropropionic acid (CF3CF2C(O)OH) has been investigated with a focus on its complex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct monomeric conformations and a dimeric structure. This study presents experimental findings, supported by computational modeling, to explore these characteristics. The analysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the lowtemperature determination of its crystalline structure using single-crystal X-ray diffraction.
Fil: Della Vedova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Stammler, Hans Georg. Universitat Bielefeld; Alemania
Fil: Mitzel, Norbert W.. Universitat Bielefeld; Alemania
Materia
perfluoropropionic acid
low-temperature crystal structure
cryogenic Ar matrix study
conformers
monomers
dimer
computational calculations
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:11336/276540
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer FormationDella Vedova, Carlos OmarRomano, Rosana MarielStammler, Hans GeorgMitzel, Norbert W.perfluoropropionic acidlow-temperature crystal structurecryogenic Ar matrix studyconformersmonomersdimercomputational calculationshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Perfluoropropionic acid (CF3CF2C(O)OH) has been investigated with a focus on its complex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct monomeric conformations and a dimeric structure. This study presents experimental findings, supported by computational modeling, to explore these characteristics. The analysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the lowtemperature determination of its crystalline structure using single-crystal X-ray diffraction.Fil: Della Vedova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Stammler, Hans Georg. Universitat Bielefeld; AlemaniaFil: Mitzel, Norbert W.. Universitat Bielefeld; AlemaniaMolecular Diversity Preservation International2025-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/276540Della Vedova, Carlos Omar; Romano, Rosana Mariel; Stammler, Hans Georg; Mitzel, Norbert W.; Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation; Molecular Diversity Preservation International; Molecules; 30; 9; 4-2025; 1-151420-3049CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.mdpi.com/1420-3049/30/9/1887info:eu-repo/semantics/altIdentifier/doi/10.3390/molecules30091887info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-12-23T14:05:10Zoai:ri.conicet.gov.ar:11336/276540instacron: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:34982025-12-23 14:05:10.574CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation
title Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation
spellingShingle Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation
Della Vedova, Carlos Omar
perfluoropropionic acid
low-temperature crystal structure
cryogenic Ar matrix study
conformers
monomers
dimer
computational calculations
title_short Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation
title_full Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation
title_fullStr Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation
title_full_unstemmed Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation
title_sort Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation
dc.creator.none.fl_str_mv Della Vedova, Carlos Omar
Romano, Rosana Mariel
Stammler, Hans Georg
Mitzel, Norbert W.
author Della Vedova, Carlos Omar
author_facet Della Vedova, Carlos Omar
Romano, Rosana Mariel
Stammler, Hans Georg
Mitzel, Norbert W.
author_role author
author2 Romano, Rosana Mariel
Stammler, Hans Georg
Mitzel, Norbert W.
author2_role author
author
author
dc.subject.none.fl_str_mv perfluoropropionic acid
low-temperature crystal structure
cryogenic Ar matrix study
conformers
monomers
dimer
computational calculations
topic perfluoropropionic acid
low-temperature crystal structure
cryogenic Ar matrix study
conformers
monomers
dimer
computational calculations
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Perfluoropropionic acid (CF3CF2C(O)OH) has been investigated with a focus on its complex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct monomeric conformations and a dimeric structure. This study presents experimental findings, supported by computational modeling, to explore these characteristics. The analysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the lowtemperature determination of its crystalline structure using single-crystal X-ray diffraction.
Fil: Della Vedova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Stammler, Hans Georg. Universitat Bielefeld; Alemania
Fil: Mitzel, Norbert W.. Universitat Bielefeld; Alemania
description Perfluoropropionic acid (CF3CF2C(O)OH) has been investigated with a focus on its complex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct monomeric conformations and a dimeric structure. This study presents experimental findings, supported by computational modeling, to explore these characteristics. The analysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the lowtemperature determination of its crystalline structure using single-crystal X-ray diffraction.
publishDate 2025
dc.date.none.fl_str_mv 2025-04
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/11336/276540
Della Vedova, Carlos Omar; Romano, Rosana Mariel; Stammler, Hans Georg; Mitzel, Norbert W.; Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation; Molecular Diversity Preservation International; Molecules; 30; 9; 4-2025; 1-15
1420-3049
CONICET Digital
CONICET
url http://hdl.handle.net/11336/276540
identifier_str_mv Della Vedova, Carlos Omar; Romano, Rosana Mariel; Stammler, Hans Georg; Mitzel, Norbert W.; Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation; Molecular Diversity Preservation International; Molecules; 30; 9; 4-2025; 1-15
1420-3049
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.mdpi.com/1420-3049/30/9/1887
info:eu-repo/semantics/altIdentifier/doi/10.3390/molecules30091887
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
dc.publisher.none.fl_str_mv Molecular Diversity Preservation International
publisher.none.fl_str_mv Molecular Diversity Preservation International
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 12.952241

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