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

Autor: Tim Pruessmann, Peter Nagel, Laura Simonelli, David Batchelor, Robert Gordon, Bernd Schimmelpfennig, Michael Trumm, Tonya Vitova
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Journal of Synchrotron Radiation, Vol 29, Iss 1, Pp 53-66 (2022)
Druh dokumentu: article
ISSN: 1600-5775
16005775
DOI: 10.1107/S1600577521012091
Popis: 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.
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