Inorganic Chemistry
Inorganic Chemistry
5 years ago

Single-Crystal Time-of-Flight Neutron Diffraction and Magic-Angle-Spinning NMR Spectroscopy Resolve the Structure and 1H and 7Li Dynamics of the Uranyl Peroxide Nanocluster U60

Single-Crystal Time-of-Flight Neutron Diffraction and Magic-Angle-Spinning NMR Spectroscopy Resolve the Structure and 1H and 7Li Dynamics of the Uranyl Peroxide Nanocluster U60
Peter C. Burns, Mateusz Dembowski, Xiaoping Wang, Junhong He, Travis A. Olds, Kristi L. Pellegrini, Todd M. Alam, Sarah Hickam, Christina Hoffman
Single-crystal neutron diffraction has resolved the structure of U60, including the H- and Li-cation positions. Variable-temperature 1H and 7Li MAS NMR experiments enabled further characterization of the dynamics of H- and Li-cation environments, detailing their specific interactions with other constituents from inside and outside. The results indicate that hexagonal pores in U60 rapidly shuttle Li cations and H2O molecules from inside and outside even in the solid state.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b01174

DOI: 10.1021/acs.inorgchem.7b01174

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