Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation
Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation
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DOI：
10.1039/c9cc00642g
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发表时间：
2019-03-25
影响因子：
4.9
通讯作者：
Cohen, Seth M.
中科院分区：
文献类型：
--
作者：
Kalaj, Mark;Momeni, Mohammad R.;Cohen, Seth M.
本文合成了一系列卤代UIO-66衍生物，并分析了其对化学战剂模拟二甲基4-硝基苯基磷酸酯(DMNP)的击穿作用。UIO-66-I降解DMNP的速度是之前报道的最活跃的MOF的四倍。MOF缺陷被量化，并被排除为活动增加的原因。理论计算表明，UIO-66-I的活性增强源于碘原子与磷酸酯键的卤素键合，从而使P-O键更快地水解。
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.