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• W2325673436 abstract "Gas-phase reactions of thorium hydroxide cations with water were studied in an ion trap and by density functional theory. The Th(OH)22+ ion adds five inner-shell water molecules. Addition of outer-shell water molecules to produce the Th(OH)22+·(H2O)6–8 yields Th(OH)3+·(H2O)0–3 by intracluster proton transfer and elimination of a protonated water cluster, (H3O)+(H2O)2. Facile hydrolysis of Th(IV) in these small hydrate clusters correlates with solution hydrolysis of Th(OH)22+(aq) to Th(OH)3+(aq). The Th(OH)3+ ion adds up to three inner-shell water molecules. For the other studied Th(IV) singly charged ions, ThO(OH)+ exothermically hydrolyzes directly to Th(OH)3+ by addition of a water molecule, ThO(O2)+ hydrolyzes to Th(OH)3+ via nonthermalized Th(OH)2(O2)+, and Th(OH)2(O2)+ hydrolyzes to Th(OH)3+·(H2O) by a sequence that requires exothermic hydration prior to hydrolysis. Computed structures and energetics are in accord with the experimental observations." @default.
• W2325673436 created "2016-06-24" @default.
• W2325673436 creator A5013277909 @default.
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• W2325673436 date "2013-01-04" @default.
• W2325673436 modified "2023-10-17" @default.
• W2325673436 title "Proton Transfer in Th(IV) Hydrate Clusters: A Link to Hydrolysis of Th(OH)₂²⁺ to Th(OH)₃⁺ in Aqueous Solution" @default.
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• W2325673436 doi "https://doi.org/10.1021/jp309658x" @default.
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