Radiation Effects on Uranyl Tetrachloro Coordination Compounds: Impact of Lattice Water
Harindu Rajapaksha, Samantha J. Kruse, Jay A. LaVerne, Sara E. Mason, Tori Z. Forbes
TL;DR
This study investigates how radiation affects uranyl tetrachloride compounds, focusing on the role of lattice water in their degradation.
Contribution
The study provides new insights into the formation of radiation-induced radicals and changes in uranium speciation due to water in the crystal lattice.
Findings
Radiation exposure leads to the formation of Cl2–• radicals in uranyl tetrachloride compounds.
Lattice water promotes the formation of HO2• and alters uranium speciation through radiolysis.
DFT calculations support the formation of a [UO2Cl3(O2)]3– species in irradiated hydrated compounds.
Abstract
Nuclear materials, such as uranium-bearing solids, are exposed to high levels of ionizing radiation throughout the nuclear fuel cycle; thus, it is important to develop a molecular-level understanding of how these materials behave and degrade in the presence of gamma (γ) irradiation. In the current study, three U(VI) tetrachloride complexes, M2[UO2Cl4]·xH2O (where M = K+, Rb+, or Cs+ and x = 0 or 2), and their respective chloride salts were exposed to 1–50 kGy of γ radiation using a 60Co source. Irradiated materials were evaluated by using electron paramagnetic resonance (EPR) and Raman spectroscopy and were further explored by using density functional theory (DFT) methods. EPR spectra of the irradiated materials suggest the formation of a Cl-based radical for both the alkali salts and the uranyl tetrachloride compounds, and DFT calculations provide evidence that the Cl2–• radical is…
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Taxonomy
TopicsRadioactive element chemistry and processing · Radioactive contamination and transfer · Nuclear Materials and Properties