Atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space

Metal–organic frameworks have been shown to adsorb and decompose chemical warfare agents, but their mechanism of action is not completely understood. Here the authors quantitatively track the binding and decomposition product structures of nerve-agent simulant dimethyl methylphosphonate in host UiO-...

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Autores principales:	Maxwell W. Terban, Sanjit K. Ghose, Anna M. Plonka, Diego Troya, Pavol Juhás, Robert E. Dinnebier, John J. Mahle, Wesley O. Gordon, Anatoly I. Frenkel
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/bc8a5c740ff2480fb4d26792a830c58b
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spelling	oai:doaj.org-article:bc8a5c740ff2480fb4d26792a830c58b2021-12-02T15:16:19ZAtomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space10.1038/s42004-020-00439-12399-3669https://doaj.org/article/bc8a5c740ff2480fb4d26792a830c58b2021-01-01T00:00:00Zhttps://doi.org/10.1038/s42004-020-00439-1https://doaj.org/toc/2399-3669Metal–organic frameworks have been shown to adsorb and decompose chemical warfare agents, but their mechanism of action is not completely understood. Here the authors quantitatively track the binding and decomposition product structures of nerve-agent simulant dimethyl methylphosphonate in host UiO-67 through in situ X-ray total scattering measurements, pair distribution function analysis, and density functional theory calculations.Maxwell W. TerbanSanjit K. GhoseAnna M. PlonkaDiego TroyaPavol JuhásRobert E. DinnebierJohn J. MahleWesley O. GordonAnatoly I. FrenkelNature PortfolioarticleChemistryQD1-999ENCommunications Chemistry, Vol 4, Iss 1, Pp 1-10 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Chemistry QD1-999
spellingShingle	Chemistry QD1-999 Maxwell W. Terban Sanjit K. Ghose Anna M. Plonka Diego Troya Pavol Juhás Robert E. Dinnebier John J. Mahle Wesley O. Gordon Anatoly I. Frenkel Atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space
description	Metal–organic frameworks have been shown to adsorb and decompose chemical warfare agents, but their mechanism of action is not completely understood. Here the authors quantitatively track the binding and decomposition product structures of nerve-agent simulant dimethyl methylphosphonate in host UiO-67 through in situ X-ray total scattering measurements, pair distribution function analysis, and density functional theory calculations.
format	article
author	Maxwell W. Terban Sanjit K. Ghose Anna M. Plonka Diego Troya Pavol Juhás Robert E. Dinnebier John J. Mahle Wesley O. Gordon Anatoly I. Frenkel
author_facet	Maxwell W. Terban Sanjit K. Ghose Anna M. Plonka Diego Troya Pavol Juhás Robert E. Dinnebier John J. Mahle Wesley O. Gordon Anatoly I. Frenkel
author_sort	Maxwell W. Terban
title	Atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space
title_short	Atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space
title_full	Atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space
title_fullStr	Atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space
title_full_unstemmed	Atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space
title_sort	atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/bc8a5c740ff2480fb4d26792a830c58b
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Atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space

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