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Single-Crystal Time-of-Flight Neutron Diffraction and Magic-Angle-Spinning NMR Spectroscopy Resolve the Structure and 1 H and 7 Li Dynamics of the Uranyl Peroxide Nanocluster U 60

Single-crystal time-of-flight neutron diffraction has provided atomic resolution of H atoms of H O molecules and hydroxyl groups, as well as Li cations in the uranyl peroxide nanocluster U . Solid-state magic-angle-spinning nuclear magnetic resonance (MAS NMR) spectroscopy was used to confirm the dy...

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Bibliographic Details
Published in:Inorganic chemistry 2017-08, Vol.56 (16), p.9676-9683
Main Authors: Olds, Travis A, Dembowski, Mateusz, Wang, Xiaoping, Hoffman, Christina, Alam, Todd M, Hickam, Sarah, Pellegrini, Kristi L, He, Junhong, Burns, Peter C
Format: Article
Language:English
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Summary:Single-crystal time-of-flight neutron diffraction has provided atomic resolution of H atoms of H O molecules and hydroxyl groups, as well as Li cations in the uranyl peroxide nanocluster U . Solid-state magic-angle-spinning nuclear magnetic resonance (MAS NMR) spectroscopy was used to confirm the dynamics of these constituents, revealing the transportation of Li atoms and H O through cluster walls. H atoms of hydroxyl units that are located on the cluster surface are involved in the transfer of H O and Li cations from inside to outside and vice versa. This exchange occurs as a concerted motion and happens rapidly even in the solid state. As a consequence of its large size and open hexagonal pores, U exchanges Li cations more rapidly compared to other uranyl nanoclusters.
ISSN:0020-1669
1520-510X
DOI:10.1021/acs.inorgchem.7b01174