Fig. 4: Identification of polymerization products and mechanism of C-O polymerization of pollutants in DHP path. | Nature Communications

Fig. 4: Identification of polymerization products and mechanism of C-O polymerization of pollutants in DHP path.

From: Axially engineered single atoms in enzyme-mimic-binding pocket steering dehalogenation–polymerization pathways toward water pollutant upcycling

Fig. 4: Identification of polymerization products and mechanism of C-O polymerization of pollutants in DHP path.

a XPS spectra of Fe-NCN in the original, after activation of PMS, and after reaction with TCP. b Chemical evolution of the Fe-NCN surface based on in situ Raman spectra after sequential addition of PMS and TCP. Experimental condition: [PMS]0 = 5.0 mM, [catalyst] = 0.5 g, [TCP] = 0.5 mM, [pH]0 = 6.7, initial T = 25 °C. c Thermodynamic potential energy (Unit: eV) curve of hydroxylation-dechlorine reaction path based on short-range ETP induced by axial ligands. d Radial distribution function g(r) for the organic molecule−Ow distance between organic molecule and the O atom of water. e Coordination number (CN) of water. f Synergistic modulation of hydroxylation substitution reaction pathways and thermodynamic potential energy (Unit: eV) profiles of ortho-chlorine on chlorophenoxonium ions by the electrophilic intermediate PMS* and water bridges. Source data are provided as a Source data file.

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