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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.  more » « less
Award ID(s):
1704063
PAR ID:
10108309
Author(s) / Creator(s):
; ; ; ; ; ;
Date Published:
Journal Name:
Chemical Communications
Volume:
55
Issue:
24
ISSN:
1359-7345
Page Range / eLocation ID:
3481 to 3484
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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