An Ultrastable Heterobimetallic Uranium(IV)/Vanadium(III) Solid Compound Protected by a Redox-Active Phosphite Ligand: Crystal Structure, Oxidative Dissolution, and First-Principles Simulation

Abstract

The first heterobimetallic uranium(IV)/vanadium(III) phosphite compound, Na₂UV₂(HPO₃)₆(denoted as UVP), was synthesized via an in situ redoxactivehydrothermal reaction. It exhibits superior hydrolyticand antioxidant stability compared to the majority ofstructures containing low-valent uranium or vanadium,further elucidated by first-principles simulations, andtherefore shows potential applications in nuclear wastemanagement.