Perfluoropropionic Acid (CF3CF2C(O)OH): Three Conformations and Dimer Formation
Carlos O Della Védova1, Rosana M Romano1, Hans-Georg Stammler2
1Centro 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.
Abstract:
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 low-temperature determination of its crystalline structure using single-crystal X-ray diffraction.
