2026-10-11T08:11:52Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33959916 2026-09-21T20:12:26Z category_1 category_4 category_8 category_14 category_19 category_21 category_272 category_873 category_39 category_133 category_135 portal_63 item_type_3 month_year_09_2026

Ferrate(VI)-Driven Transformation of Organophosphorus Compounds: Structure-Dependent Reactivity and Implications for Phosphorus Control Shiqi Tian (7431674) Zhixu Zheng (25085490) Chu Xue (20690540) Yuanyuan Xu (163995) Jun Ma (9393) Gang Wen (1517986) Biophysics Biochemistry Microbiology Molecular Biology Pharmacology Biotechnology Environmental Sciences not elsewhere classified Chemical Sciences not elsewhere classified Ecology Plant Biology Computational Biology quantitative reaction chemistry less reactive chlorpyrifos kinetically relevant reactants centered steric hindrance 4 %, respectively organophosphorus pollution control 7 – 98 v )/ fe partially deprotonated opcs important transformation pathway five additional opcs vi </ sup 2 </ sup organophosphorus compounds ph 7 whereas fe water contaminants released phosphate reactivity determinants product identification organophosphate esters nanoparticles captured molecular complexity independently evaluated group identity gly ratio direct fe derived fe dependent reactivity achieving 71 17 opcs Anthropogenic organophosphorus compounds (OPCs) are water contaminants of concern because of their ecotoxicity and contribution to phosphorus loading. We investigated the quantitative reaction chemistry and phosphorus fate of 17 OPCs during ferrate(VI) treatment. Second-order rate constants ranged from 12.2 to 353.1 M^–1 s^–1 at pH 7.0, with phosphonates generally reacting faster than organophosphate esters. A speciation-based kinetic model identified HFe^VIO₄^{^–} and partially deprotonated OPCs as kinetically relevant reactants. Direct Fe(VI) accounted for 83.7–98.9% of their transformation, whereas Fe(V)/Fe(IV) and •OH made minor contributions. Product identification and theoretical analyses revealed oxidative dephosphorylation as an important transformation pathway. 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. 2026-09-21T00:00:00Z Dataset Dataset 10.1021/acs.est.6c07827.s001 https://figshare.com/articles/dataset/Ferrate_VI_-Driven_Transformation_of_Organophosphorus_Compounds_Structure-Dependent_Reactivity_and_Implications_for_Phosphorus_Control/33959916 CC BY-NC 4.0