Correlated Multimodal Approach Reveals Key Details of Nerve-Agent Decomposition by Single-Site Zr-Based Polyoxometalates

Development of technologies for protection against chemical warfare agents (CWAs) is critically important. Recently, polyoxometalates have attracted attention as potential catalysts for nerve-agent decomposition. Improvement of their effectiveness in real operating conditions requires an atomic-leve...

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Bibliographic Details
Published in:The journal of physical chemistry letters 2019-05, Vol.10 (9), p.2295-2299
Main Authors: Tian, Yiyao, Plonka, Anna M, Ebrahim, Amani M, Palomino, Robert M, Senanayake, Sanjaya D, Balboa, Alex, Gordon, Wesley O, Troya, Diego, Musaev, Djamaladdin G, Morris, John R, Mitchell, Mark B, Collins-Wildman, Daniel L, Hill, Craig L, Frenkel, Anatoly I
Format: Article
Language:English
Subjects:
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
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Summary:Development of technologies for protection against chemical warfare agents (CWAs) is critically important. Recently, polyoxometalates have attracted attention as potential catalysts for nerve-agent decomposition. Improvement of their effectiveness in real operating conditions requires an atomic-level understanding of CWA decomposition at the gas–solid interface. We investigated decomposition of the nerve agent Sarin and its simulant, dimethyl chlorophosphate (DMCP), by zirconium polytungstate. Using a multimodal approach, we showed that upon DMCP and Sarin exposure the dimeric tungstate undergoes monomerization, making coordinatively unsaturated Zr­(IV) centers available, which activate nucleophilic hydrolysis. Further, DMCP is shown to be a good model system of reduced toxicity for studies of CWA deactivation at the gas–solid interface.
ISSN:1948-7185
1948-7185
DOI:10.1021/acs.jpclett.9b01002