Np and Pu electronic structure through metal-ligand multiple bonds

摘要

In recent years, molecular coordination chemistry andreactivity studies of uranium has seen impressiveadvances. In contrast, fundamental research concerningthe bonding properties of transuranic-containingmolecules remains scarce. This knowledge gap needs tobe addressed because several transuranic elements posevery difficult challenges for nuclear fuel cycle processesin terms of chemical separations and waste management.Actinide molecules deposited into the CambridgeStructural Database are overwhelmingly dominated byuranium and to a smaller extent thorium, with only asmall fraction pertaining to neptunium and plutonium(and only a handful for the transplutonium elements).Therefore, new information on coordination preferences,metrical parameters, and electronic structure oftransuranic complexes across a wide range of ligandtypes, oxidation states, and solvent environment isimportant to acquire.