19F NMR studies on positional variations of trifluoromethyl groups in CF3-substituted aromatic group 15 trivalent chlorides

Cornet, Stéphanie M.; Dillon, Keith B.; Xue, Bao Yu

doi:10.1016/j.jfluchem.2015.11.005

Cited by 1 publication

(2 citation statements)

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“…The aromatic trifluoromethyl substituent typically resonates between −55 and −65 ppm . They are the some of the only organofluorines that resonate in this chemical shift region.…”

Section: Resultsmentioning

confidence: 99%

“…The aromatic trifluoromethyl substituent typically resonates between −55 and −65 ppm. 28 They are the some of the only organofluorines that resonate in this chemical shift region. As aromatic CF 3 groups are increasingly common in both agricultural and pharmaceutical chemicals, 29−31 19 F NMR has become a powerful tool for the identification of these compounds in many samples.…”

Section: Per-andmentioning

confidence: 99%

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Identifying Unknown Fluorine-Containing Compounds in Environmental Samples Using ¹⁹F NMR and Spectral Database Matching

Gauthier

Mabury

2023

Environ. Sci. Technol.

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The ubiquity of per-and polyfluorinated alkyl substances (PFAS) in the environment is a continuing concern. While typical analytical methods for the analysis of PFAS include both targeted and non-targeted mass spectrometry, there remains a significant portion of fluorinated compounds that are not accounted for by these routine methods. It has been previously demonstrated that 19 F NMR can be used to identify these compounds, helping to close the mass balance on total fluorine in the environment. 19 F NMR offers an unbiased method of analysis that requires no anticipation of fluorine−carbon bonds or functional groups. However, there is resistance to further uptake of NMR spectroscopy as an analytical tool, owing to perceived difficulties in sensitivity and spectral overlap. In this study, we measure the 19 F NMR spectrum of hundreds of fluorinated compounds and use this constructed database to determine the concentration of PFAS in an extracted sample of a known aqueous firefighting foam-contaminated site. The 19 F NMR database has been included for use by other researchers, and we discuss the intricacies of 19 F NMR as applied to environmental samples.

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“…The aromatic trifluoromethyl substituent typically resonates between −55 and −65 ppm . They are the some of the only organofluorines that resonate in this chemical shift region.…”

Section: Resultsmentioning

confidence: 99%

Section: Per-andmentioning

confidence: 99%

Identifying Unknown Fluorine-Containing Compounds in Environmental Samples Using ¹⁹F NMR and Spectral Database Matching

Gauthier

Mabury

2023

Environ. Sci. Technol.

View full text Add to dashboard Cite

show abstract

19F NMR studies on positional variations of trifluoromethyl groups in CF3-substituted aromatic group 15 trivalent chlorides

Cited by 1 publication

References 53 publications

Identifying Unknown Fluorine-Containing Compounds in Environmental Samples Using ¹⁹F NMR and Spectral Database Matching

Identifying Unknown Fluorine-Containing Compounds in Environmental Samples Using ¹⁹F NMR and Spectral Database Matching

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19F NMR studies on positional variations of trifluoromethyl groups in CF3-substituted aromatic group 15 trivalent chlorides

Cited by 1 publication

References 53 publications

Identifying Unknown Fluorine-Containing Compounds in Environmental Samples Using 19F NMR and Spectral Database Matching

Identifying Unknown Fluorine-Containing Compounds in Environmental Samples Using 19F NMR and Spectral Database Matching

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Product

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Identifying Unknown Fluorine-Containing Compounds in Environmental Samples Using ¹⁹F NMR and Spectral Database Matching

Identifying Unknown Fluorine-Containing Compounds in Environmental Samples Using ¹⁹F NMR and Spectral Database Matching