Formation of U(VI) peroxide nanoclusters from cascade reactions with a persulfate radical initiator

Samarasiri, Vidumini S.; Rajapaksha, Harindu; McGee, Sarah; Mason, Sara E.; Forbes, Tori Z.

doi:10.1039/d5dt00785b

Formation of U(VI) peroxide nanoclusters from cascade reactions with a persulfate radical initiator

Journal Article · Tue Jul 29 00:00:00 EDT 2025 · Dalton Transactions

DOI:https://doi.org/10.1039/d5dt00785b· OSTI ID:2587069

Samarasiri, Vidumini S. ^[1]; ^[1]; McGee, Sarah ^[1]; ^[2]; ^[1]

Univ. of Iowa, Iowa City, IA (United States)
Brookhaven National Laboratory (BNL), Upton, NY (United States)

Radiolysis of water in high radiation fields generates a variety of reactive oxygen species that influence the chemical behavior and complexation of hexavalent uranium. This study investigates the behavior of interaction of a uranyl cation (UO₂²⁺(VI)) with a series of free radicals that are formed in situ via activation of the free radical initiator persulphate (S₂O₈²⁻), which releases both SO₄˙⁻ and ˙OH species in the solution. Electron Paramagnetic Resonance (EPR) and Raman spectroscopy were used to evaluate the presence of the hydroperoxyl radical (HO₂˙) and superoxide radicals (O₂˙⁻) that are formed within the solution through radical cascade reactions. In addition, a uranyl peroxide cluster solid (NaU₂₄) was crystallized and characterized using single crystal X-ray diffraction (SCXRD), vibrational spectroscopy, and EPR spectroscopy. The presence of the hydroperoxyl radical (HO₂˙) and superoxide radicals (O₂˙⁻) was also observed in the solid-state compound, but spectroscopic evidence suggests that it was associated with the Na⁺ network and not the cluster itself. Density functional theory (DFT) calculations were also utilized to further confirm the radical species produced and determine the potential stabilization of radicals detected within the cluster and lattice.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: SC0012704; SC0023995

OSTI ID:: 2587069

Report Number(s):: BNL--228569-2025-JAAM

Journal Information:: Dalton Transactions, Journal Name: Dalton Transactions Journal Issue: 35 Vol. 54; ISSN 1477-9226; ISSN 1477-9234

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United States

Language:: English

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