This study investigates structure-reactivity relationship within branched per- and poly-fluoroalkyl substances (PFASs) undergoing cobalt-catalyzed reductive defluorination reactions. Experimental results and theoretical calculations reveal correlations between the extent of defluorination and the local C-F bonding environment. The coordination environment of the cobalt catalytic center also determines the rate and extent of PFAS defluorination. No defluorination was observed in linear perfluorooctanoic acid (PFOA) or from a perfluoralkyl ether carboxylic acid. Results suggest the importance of (1) designing novel PFAS structures and catalysts for easy defluorination in natural and engineered systems, and (2) evaluating potential impacts of branched PFASs in biological systems where B<sub>12</sub> is present.

Defluorination of branched per- and polyfluoroalkyl substances with cobalt complex catalysts

255th National Meeting (2018)

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