2026-10-13T15:37:53Z https://api.figshare.com/v2/oai

oai:figshare.com:article/34032166 2026-09-30T12:12:17Z category_1 category_4 category_7 category_873 category_39 category_502 category_132 category_135 portal_63 item_type_6 month_year_09_2026

Harnessing Coordination Chemistry for Selective and Efficient Water Decontamination in Metal-Based Homogeneous Oxidation Systems Lijun Niu (8613777) Zhantu Ye (25143817) Yuan Zhang (41832) Shiqin Qiu (19257604) Yuyao Zhang (594655) Lianbao Chi (13286319) Mingbao Feng (752091) Biophysics Biochemistry Medicine Chemical Sciences not elsewhere classified Ecology Astronomical and Space Sciences not elsewhere classified Infectious Diseases Computational Biology whereas emerging isotope several conventional interpretations regulating oxidant activation method mechanistic validation four mechanistic functions accelerating redox cycling efficient water decontamination stabilizing metal centers dependent metal speciation ligand coordination offers harnessing coordination chemistry water matrices chemistry strategy valent intermediates treatment requirements transfer oxidation species evolution scale testing regulated selectivity redirecting reactive nonproductive self matrix scavenging indirect probes future studies emphasize multi ecotoxicity assessment catalytic roles Homogeneous advanced oxidation processes (AOPs) are constrained by pH-dependent metal speciation, sluggish metal redox cycling, matrix scavenging of radicals, and nonproductive decay of high-valent metal–oxo intermediates. Ligand coordination offers a coordination-chemistry strategy for overcoming these limitations by reshaping metal electronic structures, regulating oxidant activation, and redirecting reactive-species evolution. This review organizes recent advances in coordination-regulated homogeneous AOPs around O-donor, N-donor, and mixed N,O-donor ligands, and categorizes their catalytic roles into four mechanistic functions: (1) stabilizing metal centers and accelerating redox cycling; (2) steering oxidant activation toward radical or high-valent metal–oxo pathways; (3) shifting the consumption of transient high-valent intermediates from nonproductive self-decay/disproportionation toward contaminant oxidation; and (4) enabling direct nonradical electron- or O-transfer oxidation through metal–oxidant complexes. We further highlight that many proposed mechanisms still rely heavily on indirect probes, whereas emerging isotope-labeling and operando spectroscopic evidence calls for critical re-evaluation of several conventional interpretations. Future studies should emphasize multi-method mechanistic validation, environmentally benign ligand design, transformation and ecotoxicity assessment, and pilot-scale testing in real-water matrices to determine when coordination-regulated selectivity can justify added chemical demand and post-treatment requirements. 2026-09-30T00:00:00Z Text Journal contribution 10.1021/acs.est.6c09275.s001 https://figshare.com/articles/journal_contribution/Harnessing_Coordination_Chemistry_for_Selective_and_Efficient_Water_Decontamination_in_Metal-Based_Homogeneous_Oxidation_Systems/34032166 CC BY-NC 4.0