Department of Chemistry of the f-elements
We study the chemistry of the actinides and their lanthanide homologues in solid state as well as in solution. Modern analytical tools combined with quantum chemical computations, provide atomic scale information which can be used to characterize the physico-chemical properties of the actinides in molecules. |
Our main focus is on the coordination chemistry of f-elements with inorganic and organic ligands, mostly biological and bio-inspired ligand systems. These studies use single-crystal X-ray diffraction to study structures in the solid state, and spectroscopic techniques, such as NMR, XANES, and TRLFS, to characterize structures in solution. All studies are complemented by quantum-theoretical calculations, which rely heavily on the in-house development of theoretical methods for 5f systems (i.e. actinides).
The fundamental understanding of actinide chemistry is applied to investigate actinide reactivity at the water/mineral interface, where atomic force microscopy, TRLFS, and surface X-ray diffraction are used as surface sensitive speciation techniques.
A full list of experimental equipment and capacities can be found here.
Our group is open for interested Bachelor's and Master's students, as well as research internships. Get in touch with us!
Latest Publication
6-(6-Methyl-1,2,4,5-tetrazine-3-yl)-2,2-bipyridine: A N-donor ligand for the separation of lanthanides(III) and actinides(III)
Greif, G.; Sauerwein, F. S.; Weßling, P.; Duckworth, T.; Patzschke, M.; Gericke, R.; Sittel, T.; März, J.; Wilden, A.; Modolo, G.; Panak, P. J.; Roesky, P. W.
Abstract
Here we report the synthesis of the 6-(6-methyl-1,2,4,5-tetrazine-3-yl)-2,2‘-bipyridine (MTB) ligand, that has been developed for lanthanide/actinide separation. A multi-method study of the
complexation of MTB with trivalent actinide and lanthanide ions is presented. Single crystal X-ray diffraction measurements reveal the formation of [Ce(MTB)2(NO3)3], [Pr(MTB)NO3)3H2O], and [Ln(MTB)(NO3)3MeCN] (Ln = Nd, Sm, Eu, Gd). In addition, the complexation of Cm(III) with MTB in solution was studied by time-resolved laser fluorescence spectroscopy. The results show the formation of [Cm(MTB)1-3] 3+ complexes, which occurs in two different isomers. Quantum chemical calculations reveal an energy difference between these isomers of 12 kJ mol-1, clarifying the initial observations made by TRLFS. Furthermore, QTAIM analysis of the Cm(III) and Ln(III) complexes was performed, indicating a stronger covalent contribution in the Cm-N interaction compared to the respective Ln-N interaction. These findings align well with extraction data showing a preferred extraction of Am and Cm over lanthanides (e.g., max. SFAm/Eu = 8.3) at nitric acid concentrations < 0.1 mol L-1 HNO3.
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Inorganic Chemistry (2024)
DOI: 10.1021/acs.inorgchem.4c01793
Downloads
- Secondary publication expected from 05.08.2025
Permalink: https://www.hzdr.de/publications/Publ-39357
Projects
Current
- Bioinspired polyhydroxamic sequestering agents for the in vivo decorporation of actinides
(ActiDecorp, ANR/DFG, 04/2024-03/2027) - Actinide-metal-bonding at the atomic level
(Am-BALL, BMUV, 05/2023-04/2026) - Investigation of the interactions of f-elements with biologically-relevant structural motives: Determination of structure-effect principles for a mobilization in the environment
(FENABIUM-II, BMBF, 04/2023-03/2026) - Competition and Reversibility of sorption processes
(KuRSiV, BMUV, 01/2023-06/2026) - Spectroscopic characterization of f-Element complexes with soft donor ligands
(f-Char, BMBF, 10/2020 - 03/2024)
Expired
- Structure effect relations between f-elements and organic ligands with natural-analogue binding modes in regards to a possible mobilization in the environment
(FENABIUM, BMBF, 10/2016 – 05/2021) - Smart-Kd applications for the long term safety assessment of nuclear waste disposal sites
(SMILE, BMWi, 09/2018 – 02/2022)
Team
Head | |||||
Name | Bld./Office | +49 351 260 | |||
---|---|---|---|---|---|
PD Dr. habil. Moritz Schmidt | 801/P249 | 3156 2536 | moritz.schmidt![]() | ||
Employees | |||||
Name | Bld./Office | +49 351 260 | |||
Johannes Balas | 2438 | j.balas![]() | |||
Dr. Robert Gericke | 801/P205 | 2011 | r.gericke![]() | ||
Dennis Grödler | 801/P205 | 2438 | d.groedler![]() | ||
Dr. Peter Kaden | 801/P217 | 2261 | p.kaden![]() | ||
Aliaksandra Khokh | 801/P219 | 3194 | a.khokh![]() | ||
Jessica Lessing | 801/P352 | 3154 | j.lessing![]() | ||
Adrian Näder | 801/P352 | 3154 | a.naeder![]() | ||
Dr. Michael Patzschke | 801/P356 | 2989 | m.patzschke![]() | ||
Jason Daniel Ross | 801/P306 | 2860 | j.ross![]() | ||
Till Erik Sawallisch | 801/P350 | 2438 | t.sawallisch![]() | ||
Bin Yeamin | 801/P127 | 2006 | b.yeamin![]() | ||
Actinid chemistry of metall organics | |||||
Name | Bld./Office | +49 351 260 | |||
Dr. Juliane März | 801/P217 | 3209 2506 | j.maerz![]() |