ISIS Neutron and Muon Source Data Journal

Linking the solid state and solution thorium aqua structures: solution structures using neutron diffraction

Abstract: A understanding of the aqueous chemistry of the actinide ions is not as well developed as for transition metals or the lanthanides. Fundamentally important information such as the number of coordinated water molecules is still debatable. This has relied on EXAFS, but this technique cannot give precise coordination numbers. In this work we aim, for the first time, to use solution neutron diffraction techniques to explicitly locate the coordinated water molecules in three thorium compounds (with Cl-, Br- and SO4 2- ions) of increasing complexity, and understand how these interact with the 2nd and further coordination shells. In a related submission, we will examine the solid state structures to gain further information on the structures and stability of these. This information is vital for the storage of spent nuclear fuel either in a geological repository or solution phase processing.

Principal Investigator: Dr Robert Baker
Experimenter: Mr Samuel Edwards
Local Contact: Dr Daniel Bowron

DOI: 10.5286/ISIS.E.RB1820239

ISIS Experiment Number: RB1820239

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Robert Baker et al; (2018): Linking the solid state and solution thorium aqua structures: solution structures using neutron diffraction, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820239

Data is released under the CC-BY-4.0 license.