Science and Technology Production
Article
Authorship
Ladino Cardona, Miyer Alejandro
;
SALAS, JUANA
;
Lesniak, Lukas
;
Mommers, A. A.
;
Mayer, Paul M.
;
BURGOS PACI, MAXIMILIANO ALBERTO
Date
2023
Publishing House and Editing Place
John Wiley & Sons, Ltd
Magazine
ChemistrySelect,
vol. 8
(pp. 1-9)
- ISSN 2365-6549
John Wiley & Sons, Ltd
John Wiley & Sons, Ltd
ISSN
2365-6549
Summary
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The remediation strategies for accumulated polyfluoroalkyl substances (PFAS) are a subject of great concern in environmental science. In this study, the thermal decomposition of trifluoroacetic acid (TFA) and trifluoroacetic anhydride (TFAN), taken as models of PFAS, were explored. Imaging photoelectron photoion coincidence (iPEPICO) spectroscopy was used to detect pyrolysis products from room temperature to 1000 °C under dilute conditions. The observed pyrolysis products of each molecule w...
The remediation strategies for accumulated polyfluoroalkyl substances (PFAS) are a subject of great concern in environmental science. In this study, the thermal decomposition of trifluoroacetic acid (TFA) and trifluoroacetic anhydride (TFAN), taken as models of PFAS, were explored. Imaging photoelectron photoion coincidence (iPEPICO) spectroscopy was used to detect pyrolysis products from room temperature to 1000 °C under dilute conditions. The observed pyrolysis products of each molecule were CO, CO2, CF2, and CF2O (and CF3 for TFAN), with some species reflecting unimolecular rearrangement prior to dissociation. Electronic structure calculations using density functional theory and the SVECV-F12 composite method were employed to evaluate the energy of the different decomposition channels. The results show the advantage of exploring the pyrolysis under dilute conditions to catch the first stages of unimolecular dissociation of these molecules for the first time.
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Key Words
PFASIPEPICOTHRESHOLD PHOTOELECTRON SPECTROSCOPYPYROLYSISPHOTOELECTRON SPECTROSCOPY
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