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.

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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
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article

Rotational spectrum of trifluoroacetic acid: Extension of the measurements by chirped-pulse spectroscopy

Luca Evangelisti, Filippo Baroncelli, Sonia Melandri, Assimo Maris et al.
1 citations
Journal of Molecular Spectroscopy
Molecular Spectroscopy and Structure
0.76
article

Rotational spectrum of trifluoroacetic acid: Extension of the measurements by chirped-pulse spectroscopy

Luca Evangelisti, Filippo Baroncelli, Sonia Melandri, Assimo Maris, Greta Naso
article en
1 citations

Abstract

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.

Journal of Molecular SpectroscopyVol. 408
Ospedale "Santa Maria delle Croci" di Ravenna (IT), Research Centre for Cereal and Industrial Crops (IT), University of Bologna (IT)
Openalex Percentile: Top 36%
Molecular Spectroscopy and Structure
0.76
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Rotational spectrum of trifluoroacetic acid: Extension of the measurements by chirped-pulse spectroscopy — Luca Evangelisti, Filippo Baroncelli, et al. · Journal of Molecular Spectroscopy (2025) | TGRS Research Map | TGRS