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Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation
- Kalaj, Mark, Momeni, Mohammad R., Bentz, Kyle C., Barcus, Kyle S., Palomba, Joseph M., Paesani, Francesco, Cohen, Seth M.
- Chemical communications 2019 v.55 no.24 pp. 3481-3484
- chemical bonding, hydrolysis, iodine, ligands, phosphates
- 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.