Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations
Tamara Shaaban,
Florent Réal,
Rémi Maurice
et al.
Abstract:This study explores the distinctive behavior of Protactinium (Z = 91) within the actinide series. In contrast to neighboring elements like uranium or plutonium, Protactinium in the pentavalent state diverges by not forming the typical dioxo protactinyl moiety PaO2+ in aqueous phase. Instead, it manifests as a monooxo PaO3+ cation. Employing first‐principle calculations with implicit and explicit solvation, we investigate two stoichiometrically equivalent neutral complexes: PaO(OH)2(X)(H2O) and Pa(OH)4(X), wher… Show more
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