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Diisopropyl fluorophosphate (DFP) degradation activity using transition metal–dipicolylamine complexes
Author(s) -
Jeong Keunhong,
Shim Joongmoo,
Chung Woo Young,
Kye Young Sik,
Kim Dongwook
Publication year - 2018
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.4383
Subject(s) - chemistry , diisopropyl fluorophosphate , transition metal , nucleophile , catalysis , reactivity (psychology) , nerve agent , ligand (biochemistry) , decomposition , inorganic chemistry , kinetics , metal , polymer chemistry , photochemistry , organic chemistry , medicine , biochemistry , physics , alternative medicine , receptor , pathology , quantum mechanics , acetylcholinesterase , enzyme
Transition metal complexes have been extensively used as catalysts for organophosphorus agent decomposition to reduce their toxicity with their performance being strongly dependent on the nature of the metal ion. To investigate this dependence, we prepared dipicolylamine (DPA)‐containing complexes of Cu(II), Zn(II), Ni(II), Co(II), and Fe(II) and analyzed their activities for the degradation of diisopropyl fluorophosphate (DFP), a nerve agent surrogate compound. Cu(II)‐DPA complex showed fastest reaction kinetics while Zn(II)‐DPA and Ni(II)‐DPA exhibited more slower reactions. This observation can be explained using frontier molecular orbital (FMO) theory, which revealed that the nucleophilicity of the oxygen atom in water molecules in these transition metal complexes was well matched with reactivity order observed in experiments. These investigations combined with theoretical study provide valuable information for designing and predicting the activity of new transition metal–organic ligand complexes as a catalyst to decompose and reduce toxicity of organophosphorus nerve agents.