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Issue 24, 2019
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Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation

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Abstract

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.

Graphical abstract: Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation

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Publication details

The article was received on 24 Jan 2019, accepted on 21 Feb 2019 and first published on 21 Feb 2019


Article type: Communication
DOI: 10.1039/C9CC00642G
Chem. Commun., 2019,55, 3481-3484

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    Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation

    M. Kalaj, M. R. Momeni, K. C. Bentz, K. S. Barcus, J. M. Palomba, F. Paesani and S. M. Cohen, Chem. Commun., 2019, 55, 3481
    DOI: 10.1039/C9CC00642G

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