Perfluoropropionic acid (CF₃CF₂C(O)OH): Three conformations and dimer formation

Autores
Della Védova, Carlos Omar; Romano, Rosana Mariel; Stammler, Hans-Georg; Mitzel, Norbert
Año de publicación
2025
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Perfluoropropionic acid (CF₃CF₂C(O)OH) will be investigated with a focus on its com-plex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct mono-meric conformations and a dimeric structure. This study presents experimental find-ings, supported by computational modeling, to explore these characteristics. The anal-ysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the low-temperature determination of its crystalline structure using single-crystal X-ray diffraction.
Facultad de Ciencias Exactas
Materia
Ciencias Exactas
Perfluoropropionic Acid
Low-Temperature Crystal Structure
Cryogenic Ar-Matrix Study
Conformers
Monomers
Dimer
Computational Calculations
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:10915/178533
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/178533
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Perfluoropropionic acid (CF₃CF₂C(O)OH): Three conformations and dimer formationDella Védova, Carlos OmarRomano, Rosana MarielStammler, Hans-GeorgMitzel, NorbertCiencias ExactasPerfluoropropionic AcidLow-Temperature Crystal StructureCryogenic Ar-Matrix StudyConformersMonomersDimerComputational CalculationsPerfluoropropionic acid (CF₃CF₂C(O)OH) will be investigated with a focus on its com-plex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct mono-meric conformations and a dimeric structure. This study presents experimental find-ings, supported by computational modeling, to explore these characteristics. The anal-ysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the low-temperature determination of its crystalline structure using single-crystal X-ray diffraction.Facultad de Ciencias Exactas2025-04-23info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/178533enginfo:eu-repo/semantics/altIdentifier/issn/1420-3049info:eu-repo/semantics/altIdentifier/doi/10.3390/molecules30091887info: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:UNLP2025-12-23T11:50:20Zoai:sedici.unlp.edu.ar:10915/178533Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-12-23 11:50:21.191SEDICI (UNLP) - Universidad Nacional de La Platafalse
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 Védova, Carlos Omar
Ciencias Exactas
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 Védova, Carlos Omar
Romano, Rosana Mariel
Stammler, Hans-Georg
Mitzel, Norbert
author Della Védova, Carlos Omar
author_facet Della Védova, Carlos Omar
Romano, Rosana Mariel
Stammler, Hans-Georg
Mitzel, Norbert
author_role author
author2 Romano, Rosana Mariel
Stammler, Hans-Georg
Mitzel, Norbert
author2_role author
author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Perfluoropropionic Acid
Low-Temperature Crystal Structure
Cryogenic Ar-Matrix Study
Conformers
Monomers
Dimer
Computational Calculations
topic Ciencias Exactas
Perfluoropropionic Acid
Low-Temperature Crystal Structure
Cryogenic Ar-Matrix Study
Conformers
Monomers
Dimer
Computational Calculations
dc.description.none.fl_txt_mv Perfluoropropionic acid (CF₃CF₂C(O)OH) will be investigated with a focus on its com-plex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct mono-meric conformations and a dimeric structure. This study presents experimental find-ings, supported by computational modeling, to explore these characteristics. The anal-ysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the low-temperature determination of its crystalline structure using single-crystal X-ray diffraction.
Facultad de Ciencias Exactas
description Perfluoropropionic acid (CF₃CF₂C(O)OH) will be investigated with a focus on its com-plex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct mono-meric conformations and a dimeric structure. This study presents experimental find-ings, supported by computational modeling, to explore these characteristics. The anal-ysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the low-temperature determination of its crystalline structure using single-crystal X-ray diffraction.
publishDate 2025
dc.date.none.fl_str_mv 2025-04-23
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/10915/178533
url http://sedici.unlp.edu.ar/handle/10915/178533
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/1420-3049
info:eu-repo/semantics/altIdentifier/doi/10.3390/molecules30091887
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
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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