Ferrate(VI)-Driven Transformation of Organophosphorus Compounds: Structure-Dependent Reactivity and Implications for Phosphorus Control

C–P bond cleavage predominated for glyphosate (GLY), converting 92.9% of its phosphorus to orthophosphate at an Fe(VI)-to-GLY ratio of 20:1 and pH 7.0. Even for less reactive chlorpyrifos and trichlorfon, phosphate yields could approach 18.6% and 20.4%, respectively. Ferrate-derived Fe(III) nanoparticles captured the released phosphate, achieving 71.5% total phosphorus and 67.2% total organic carbon removal.

A quantitative structure–activity relationship model, independently evaluated with five additional OPCs (R² = 0.807), identified oxidation potential, molecular complexity, phosphorus functional-group identity, and phosphorus-centered steric hindrance as reactivity determinants. These findings deepen mechanistic understanding of ferrate reactions with OPCs and inform rational ferrate application for organophosphorus pollution control.