In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework

Sara E. Gilson; Peng Li; Jennifer E.S. Szymanowski; Jacob White; Debmalya Ray; Laura Gagliardi; Omar K. Farha; Peter C. Burns

doi:10.1021/jacs.9b06187

In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework

Sara E. Gilson, Peng Li, Jennifer E.S. Szymanowski, Jacob White, Debmalya Ray, Laura Gagliardi, Omar K. Farha, Peter C. Burns

Research output: Contribution to journal › Article › peer-review

38 Scopus citations

Abstract

An isostructural series of Np(V) MOFs with shp-topology were synthesized and characterized. X-ray diffraction data revealed an unusual wheel-shaped node of 18 neptunyl polyhedra stabilized in the framework. Strong distortion in local coordination of the neptunium atoms is evidenced by Np-O_yl bond lengths that lie outside the typical range for Np(V). The structure was further interrogated by Raman spectroscopy and density functional theory calculations to assign the vibrational modes.

Original language	English
Pages (from-to)	11842-11846
Number of pages	5
Journal	Journal of the American Chemical Society
Volume	141
Issue number	30
DOIs	https://doi.org/10.1021/jacs.9b06187
State	Published - Jul 31 2019
Externally published	Yes

Funding

This work was supported by the National Nuclear Security Administration, Department of Energy, under Award Number DE-NA0003763. We gratefully acknowledge Dr. Ian Steele and the Materials Characterization Facility (MCF) at the University of Notre Dame for assistance with collecting electron microprobe data and Dr. Allen Oliver for insightful crystallographic conversations.

Funders	Funder number
U.S. Department of Energy	DE-NA0003763
U.S. Department of Energy
National Nuclear Security Administration

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abstract = "An isostructural series of Np(V) MOFs with shp-topology were synthesized and characterized. X-ray diffraction data revealed an unusual wheel-shaped node of 18 neptunyl polyhedra stabilized in the framework. Strong distortion in local coordination of the neptunium atoms is evidenced by Np-Oyl bond lengths that lie outside the typical range for Np(V). The structure was further interrogated by Raman spectroscopy and density functional theory calculations to assign the vibrational modes.",

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AU - White, Jacob

AU - Ray, Debmalya

AU - Gagliardi, Laura

AU - Farha, Omar K.

AU - Burns, Peter C.

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AB - An isostructural series of Np(V) MOFs with shp-topology were synthesized and characterized. X-ray diffraction data revealed an unusual wheel-shaped node of 18 neptunyl polyhedra stabilized in the framework. Strong distortion in local coordination of the neptunium atoms is evidenced by Np-Oyl bond lengths that lie outside the typical range for Np(V). The structure was further interrogated by Raman spectroscopy and density functional theory calculations to assign the vibrational modes.

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In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework

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