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1 PublicationCoordination of Trivalent Lanthanum and Cerium, and Tetravalent Cerium and Actinides (An = Th(IV), U(IV), Np(IV)) by a 4-Phosphoryl 1H-Pyrazol-5-olate Ligand in Solution and the Solid State
Abstract
This dataset is a subset of the complete data used in the original publication. It contains NMR and XAS data and there simulation. Based on this original data, conlcusions are drawn in the linked publication. For the full data, please refer to the corresponding author of the full publication.
Abstract of the publication:
Structural investigations of three actinide(IV) 4-phosphoryl 1H-pyrazol-5-olate complexes (An = Th(IV), U(IV), Np(IV)) and their cerium(IV) analogue display the same metal coordination in the solid state. The mononuclear complexes show the metal centre in a square antiprismatic coordination geometry composed by the two O-donor atoms of four deprotonated ligands. Detailed solid state analysis of the U(IV) complex shows that in dependence of the solvent used altered arrangements are observable, resulting in a change in the coordination polyhedron of the U(IV) metal centre to bi-capped trigonal prismatic. Further, single crystal analyses of the La(III) and Ce(III) complexes show that the ligand can also act as a neutral ligand by protonation of the pyrazoyl moiety. All complexes were comprehensively characterized by NMR, IR and Raman spectroscopy. A single resonance in each of the 31P NMR spectra for the La(III), Ce(III), Ce(IV), Th(IV) and Np(IV) complex indicates the formation of highly symmetric complex species in solution. Extended X-ray absorption fine structure (EXAFS) investigations provide evidence for the same local structure of the U(IV) and Np(IV) complex in toluene solution, confirming the observations made in the solid state.
Involved research facilities
- Rossendorf Beamline at ESRF DOI: 10.1107/S1600577520014265
Related publications
- DOI: 10.1107/S1600577520014265 is cited by this (Id 31820) publication
- DOI: 10.1039/D1DT00365H references this (Id 31820) publication
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Coordination of Trivalent Lanthanum and Cerium, and Tetravalent Cerium and …
ROBIS: 31761 has used this (Id 31820) publication of HZDR-primary research data
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Reseach data in the HZDR data repository RODARE
Publication date: 2020-12-11 Closed access
DOI: 10.14278/rodare.643
Versions: 10.14278/rodare.644
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Permalink: https://www.hzdr.de/publications/Publ-31820
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