ic7b01174_si_001.pdf (611.35 kB)
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
journal contribution
posted on 2017-08-07, 16:50 authored by Travis A. Olds, Mateusz Dembowski, Xiaoping Wang, Christina Hoffman, Todd M. Alam, Sarah Hickam, Kristi L. Pellegrini, Junhong He, Peter C. BurnsSingle-crystal time-of-flight
neutron diffraction has provided atomic resolution of H atoms of H2O molecules and hydroxyl groups, as well as Li cations in
the uranyl peroxide nanocluster U60. 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 H2O through cluster walls. H atoms of hydroxyl
units that are located on the cluster surface are involved in the
transfer of H2O 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, U60 exchanges Li cations more
rapidly compared to other uranyl nanoclusters.