A rationally designed perfluorinated host for the extraction of PFOA from water utilising non-covalent interactions

Omorodion, Harrison, Palenzuela, Miguel, Ruether, Manuel, Twamley, Brendan, Platts, James ORCID: https://orcid.org/0000-0002-1008-6595 and Baker, Robert J. 2017. A rationally designed perfluorinated host for the extraction of PFOA from water utilising non-covalent interactions. New Journal of Chemistry 42 , pp. 7956-7968. 10.1039/C7NJ03026F

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Abstract

Perfluorooctanoic acid (PFOA) is a persistent organic pollutant and widespread in the environment. Three hosts have been synthesized based upon the formation of a fluorous cavity and hydrogen bonding receptors with the aim of extracting PFOA from water into organic solvents. The hosts based upon a calix[4]arene functionalized at the lower rim with amide groups and fluorous ponytails are effective for the quantitative removal of PFOA. Modification to a partial cone or a trisaminoamine framework reduces the conformational rigidity and lowers the extraction efficiency. A comprehensive NMR spectroscopic analysis both in solution and the solid state, along with other characterization techniques, has elucidated the stoichiometry of the host:guest species and the binding constants have been measured. A computational study has given further insight into the binding modes and corroborated the spectroscopic measurements.

Item Type:	Article
Date Type:	Published Online
Status:	Published
Schools:	Chemistry Advanced Research Computing @ Cardiff (ARCCA)
Subjects:	Q Science > QD Chemistry
Publisher:	Royal Society of Chemistry
ISSN:	1144-0546
Date of First Compliant Deposit:	17 November 2017
Date of Acceptance:	15 November 2017
Last Modified:	25 Nov 2024 07:30
URI:	https://orca.cardiff.ac.uk/id/eprint/106686

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