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†

Tonya Vitova,

*^a Ivan Pidchenko,^a David Fellhauer,^a Tim Pruessmann,

^a Sebastian Bahl,^a Kathy Dardenne,^a Tadahiro Yokosawa,^a Bernd Schimmelpfennig,^a Marcus Altmaier,^a Melissa Denecke,

^a Jörg Rothe^a and Horst Geckeis^a

Author affiliations

* Corresponding authors

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

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.

This article is part of the themed collection: New molecules and materials from the f-block

Chemical Communications

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

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

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