Spectroscopy and Photodissociation of the Perfluorooctanoate Anion

Suzie Douix (1, 2) , Héloïse Dossmann (1) , Edith Nicol (3) , Denis Duflot (4) , Alexandre Giuliani (5, 2)

1 CSOB - Chimie Structurale Organique et Biologique
2 SSOLEIL - Synchrotron SOLEIL
3 LCM - Laboratoire de chimie moléculaire
4 PCMT - Physico-Chimie Moléculaire Théorique
5 CEPIA - Département Caractérisation et Elaboration des Produits Issus de l'Agriculture

Perfluorocarbons, a class of fully fluorinated compounds, are highly persistent and toxic pollutants that are receiving increasing attention due to their widespread environmental distribution. In this study, attention was focused on one compound in particular, namely, perfluorooctanoic acid (PFOA). The first investigation of the UV/VUV photochemistry of the PFOA anion in the gas phase by action spectroscopy of selected ions is reported. Two main relaxation channels were identified: photodissociation and photodetachment. Absolute cross sections for the individual observed processes were measured. DFT calculations and natural transition orbital analysis were carried out to help in the interpretation of the experimental results.

Mots clés: atmospheric chemistry; mass spectrometry; perfluoro compounds; photochemistry

Mots clés: UV/Vis spectroscopy

Domaines: Chimie théorique et/ou physique; Chimie-Physique [physics.chem-ph]

Suzie Douix, Héloïse Dossmann, Edith Nicol, Denis Duflot, Alexandre Giuliani. Spectroscopy and Photodissociation of the Perfluorooctanoate Anion. Chemistry - A European Journal, 2018, 24 (58), pp.15572-15576. ⟨10.1002/chem.201801997⟩. ⟨hal-01851786⟩