Rotational spectrum of trifluoroacetic acid: Extension of the measurements by chirped-pulse spectroscopy
The rotational spectrum of trifluoroacetic acid has been recorded at room temperature in the 18–26 GHz frequency range using a chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer. More than 180 new spectral lines have been identified and assigned to transitions within the vibrational ground state. A global fitting has been performed by incorporating spectroscopic data from previous studies, leading to the refinement of the molecular parameters. Two fitting models using Watson’s S -reduction and A -reduction are proposed, allowing the determination of h 3 for the first model and Φ J K , Φ K J , and ϕ K for the second one. • Room-temperature chirped-pulse spectrum in the 18–26 GHz region. • New rotational data on the smallest perfluoroalkyl carboxylic acid. • Global rotational fit for trifluoroacetic acid. • Good accuracy of MP2/aug-cc-pVTZ calculated spectroscopic parameters.
Authors
- Luca Evangelisti (ORCID: https://orcid.org/0000-0001-9119-1057)
- Filippo Baroncelli (ORCID: https://orcid.org/0000-0003-4807-6939)
- Sonia Melandri (ORCID: https://orcid.org/0000-0002-0410-5833)
- Assimo Maris (ORCID: https://orcid.org/0000-0003-2644-0023)
- Greta Naso
Institutions
- Ospedale "Santa Maria delle Croci" di Ravenna (IT)
- Research Centre for Cereal and Industrial Crops (IT)
- University of Bologna (IT)
Publication Details
- Journal
- Journal of Molecular Spectroscopy
- Published
- 2025-01-22
- DOI
- https://doi.org/10.1016/j.jms.2025.111986
- Citations
- 1
- Primary Topic
- Molecular Spectroscopy and Structure
- Type
- article
- Field-Weighted Citation Impact
- 0.76