10.1021/acs.inorgchem.7b01174.s001
Travis A. Olds
Travis A.
Olds
Mateusz Dembowski
Mateusz
Dembowski
Xiaoping Wang
Xiaoping
Wang
Christina Hoffman
Christina
Hoffman
Todd M. Alam
Todd M.
Alam
Sarah Hickam
Sarah
Hickam
Kristi L. Pellegrini
Kristi L.
Pellegrini
Junhong He
Junhong
He
Peter C. Burns
Peter C.
Burns
Single-Crystal Time-of-Flight Neutron Diffraction
and Magic-Angle-Spinning NMR Spectroscopy Resolve the Structure and <sup>1</sup>H and <sup>7</sup>Li Dynamics of the Uranyl Peroxide Nanocluster
U<sub>60</sub>
American Chemical Society
2017
Uranyl Peroxide Nanocluster U 60 Single-crystal time-of-flight neutron diffraction
U 60 exchanges Li cations
uranyl peroxide nanocluster U 60
H 2 O
H 2 O molecules
hydroxyl
Single-Crystal Time-of-Flight Neutron Diffraction
Magic-Angle-Spinning NMR Spectroscopy Resolve
MAS
Li cations
7 Li Dynamics
2017-08-07 16:50:22
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Single-Crystal_Time-of-Flight_Neutron_Diffraction_and_Magic-Angle-Spinning_NMR_Spectroscopy_Resolve_the_Structure_and_sup_1_sup_H_and_sup_7_sup_Li_Dynamics_of_the_Uranyl_Peroxide_Nanocluster_U_sub_60_sub_/5281945
Single-crystal time-of-flight
neutron diffraction has provided atomic resolution of H atoms of H<sub>2</sub>O molecules and hydroxyl groups, as well as Li cations in
the uranyl peroxide nanocluster U<sub>60</sub>. 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<sub>2</sub>O through cluster walls. H atoms of hydroxyl
units that are located on the cluster surface are involved in the
transfer of H<sub>2</sub>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<sub>60</sub> exchanges Li cations more
rapidly compared to other uranyl nanoclusters.