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...

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Published in:Chemical communications (Cambridge, England) England), 2019-03, Vol.55 (24), p.3481-3484
Main Authors: Kalaj, Mark, Momeni, Mohammad R, Bentz, Kyle C, Barcus, Kyle S, Palomba, Joseph M, Paesani, Francesco, Cohen, Seth M
Format: Article
Language:English
Subjects:
Bonding agents
Chemical synthesis
Chemical warfare
Iodine
Metal-organic frameworks
NMR
Nuclear magnetic resonance
Organic chemistry
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container_title Chemical communications (Cambridge, England)
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creator Kalaj, Mark
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description 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. Herein, a series of halogenated UiO-66 derivatives was synthesized and analyzed for the breakdown of the CWA simulant dimethyl-4-nitrophenyl phosphate (DMNP) to analyze ligand effects.
doi_str_mv 10.1039/c9cc00642g
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subjects Bonding agents
Chemical synthesis
Chemical warfare
Iodine
Metal-organic frameworks
NMR
Nuclear magnetic resonance
Organic chemistry
title Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation
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