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Title: Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation
Herein, a series of halogenated UiO-66 derivatives was synthesized and analyzed for the breakdown of the chemical warfare agent simulant dimethyl-4-nitrophenyl phosphate (DMNP) to analyze ligand effects. UiO-66-I degrades DMNP at a rate four times faster than the most active previously reported MOFs. MOF defects were quantified and ruled out as a cause for increased activity. Theoretical calculations suggest the enhanced activity of UiO-66-I originates from halogen bonding of the iodine atom to the phosphoester linkage allowing for more rapid hydrolysis of the P–O bond.
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Publication Date:
Journal Name:
Chemical Communications
Page Range or eLocation-ID:
3481 to 3484
Sponsoring Org:
National Science Foundation
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