Dechlorination Triggers Defluorination: Novel Defluorination Pathways of Chlorinated Polyfluoroalkyl Substances (Cl-PFAS) by Nanoscale Zerovalent Iron

-) compared with proton abstraction. The alignment of theoretical calculations with experimental results provides a theoretical framework to predict dechlorination and defluorination reactivity of Cl-PFAS, facilitating the design of rapidly degradable alternatives.