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Perfluoropropionic Acid (CF 3 CF 2 C(O)OH): Three Conformations and Dimer Formation

ORCID
0000-0002-2439-2147
Affiliation
Centro de Química Inorgánica “Dr. Pedro J. Aymonino”, CEQUINOR (Universidad Nacional de La Plata, UNLP, Centro Científico y Tecnológico, Consejo Nacional de Investigaciones Científicas y Técnicas, CCT-CONICET La Plata, Associated with Comisión de Investigaciones Científicas de la Provincia de Buenos Aires, CIC-PBA), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Boulevard 120 N° 1465, La Plata CP 1900, Argentina;
Della Védova, Carlos O.;
ORCID
0000-0001-5546-0504
Affiliation
Centro de Química Inorgánica “Dr. Pedro J. Aymonino”, CEQUINOR (Universidad Nacional de La Plata, UNLP, Centro Científico y Tecnológico, Consejo Nacional de Investigaciones Científicas y Técnicas, CCT-CONICET La Plata, Associated with Comisión de Investigaciones Científicas de la Provincia de Buenos Aires, CIC-PBA), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Boulevard 120 N° 1465, La Plata CP 1900, Argentina;
Romano, Rosana M.;
Affiliation
Lehrstuhl für Anorganische Chemie und Strukturchemie, Center for Molecular Materials CM2, Bielefeld University, Universitätsstraße 25, 33615 Bielefeld, Germany;
Stammler, Hans-Georg;
Affiliation
Lehrstuhl für Anorganische Chemie und Strukturchemie, Center for Molecular Materials CM2, Bielefeld University, Universitätsstraße 25, 33615 Bielefeld, Germany;
Mitzel, Norbert W.

Perfluoropropionic acid (CF 3 CF 2 C(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 low-temperature determination of its crystalline structure using single-crystal X-ray diffraction.

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Editor:
Fausto, Rui; Ildiz, Gulce Ogruc
Published in:
Molecules  
Vol. 30, No. 9 (23.04.2025)
Volume:
30
No.:
9
Date Issued:
23.04.2025
DOI:
10.3390/molecules30091887
Language:
English
Type of Resource:
Text
Keywords:
perfluoropropionic acid; low-temperature crystal structure; cryogenic Ar matrix study; conformers; monomers; dimer; computational calculations
DDC:
610 Medizin und Gesundheit

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License Holder: © 2025 by the authors.

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