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Opportunities and challenges of applying advanced X-ray spectroscopy to actinide and lanthanide N-donor ligand systems

Prüßmann, Tim ORCID iD icon; Nagel, Peter; Simonelli, Laura; Batchelor, David; Gordon, Robert; Schimmelpfennig, Bernd; Trumm, Michael; Vitova, Tonya ORCID iD icon

Abstract:

N-donor ligands such as n-Pr-BTP [2,6-bis­(5,6-di­propyl-1,2,4-triazin-3-yl)­pyridine] preferentially bind trivalent actinides (An3+) over trivalent lanthanides (Ln3+) in liquid–liquid separation. However, the chemical and physical processes responsible for this selectivity are not yet well understood. Here, an explorative comparative X-ray spectroscopy and computational (L3-edge) study for the An/Ln L3-edge and the N K-edge of [An/Ln(n-Pr-BTP) 3](NO3)3, [Ln(n-Pr-BTP) 3](CF3SO3)3 and [Ln(n-Pr-BTP) 3](ClO4)3 complexes is presented. High-resolution X-ray absorption near-edge structure (HR-XANES) L3-edge data reveal additional features in the pre- and post-edge range of the spectra that are investigated using the quantum chemical codes FEFF and FDMNES. X-ray Raman spectroscopy studies demonstrate the applicability of this novel technique for investigations of liquid samples of partitioning systems at the N K-edge.

Zugehörige Institution(en) am KIT Institut für Nukleare Entsorgung (INE)
Institut für Photonenforschung und Synchrotronstrahlung (IPS)
Institut für QuantenMaterialien und Technologien (IQMT)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 01.2022
Sprache Englisch
Identifikator ISSN: 1600-5775
KITopen-ID: 1000141692
HGF-Programm 32.11.03 (POF IV, LK 01) Fundamental Scientific Aspects
Weitere HGF-Programme 32.11.01 (POF IV, LK 01) Nuclear Waste Disposal
47.11.02 (POF IV, LK 01) Emergent Quantum Phenomena
56.12.11 (POF IV, LK 01) Materials - Quantum, Complex and Functional
Erschienen in Journal of synchrotron radiation
Verlag International Union of Crystallography
Band 29
Heft 1
Seiten 53–66
Vorab online veröffentlicht am 01.01.2022
Nachgewiesen in Web of Science
Scopus
Dimensions

Verlagsausgabe §
DOI: 10.5445/IR/1000141692
Veröffentlicht am 31.01.2022
Originalveröffentlichung
DOI: 10.1107/S1600577521012091
Scopus
Zitationen: 6
Web of Science
Zitationen: 6
Dimensions
Zitationen: 6
Seitenaufrufe: 151
seit 27.01.2022
Downloads: 103
seit 01.02.2022
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