Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations

Tonya Vitova; Ivan Pidchenko; David Fellhauer; Tim Pruessmann; Sebastian Bahl; Kathy Dardenne; Tadahiro Yokosawa; Bernd Schimmelpfennig; Marcus Altmaier; Melissa Denecke; Jörg Rothe; Horst Geckeis

doi:10.1039/c8cc06889e

Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations

Chem Commun (Camb). 2018 Nov 13;54(91):12824-12827. doi: 10.1039/c8cc06889e.

Authors

Tonya Vitova¹, Ivan Pidchenko, David Fellhauer, Tim Pruessmann, Sebastian Bahl, Kathy Dardenne, Tadahiro Yokosawa, Bernd Schimmelpfennig, Marcus Altmaier, Melissa Denecke, Jörg Rothe, Horst Geckeis

Affiliation

¹ Institute for Nuclear Waste Disposal (INE), Karlsruhe Institute of Technology, P.O. 3640, D-76021 Karlsruhe, Germany. Tonya.Vitova@kit.edu.

PMID: 30379154
DOI: 10.1039/c8cc06889e

Abstract

Pu L3 HR-XANES and FEFF9 computations provide evidence for band-like 6d states in colloidal Pu contrasting to narrow 6d states in molecular Pu(iv). Pu L3 HR-XANES is valuable for bond length estimation in plutonyl, whereas Pu M5 HR-XANES is an advanced tool for analysing Pu redox states and 5f unoccupied density of states.