Contact

Prof. Dr. Moritz Schmidt

Head Chemistry of the f-elements
moritz.schmidthzdr.de
Phone: +49 351 260 3156
+49 351 260 2536

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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.

Übersicht FWOF ©Copyright: PD Dr. habil. Schmidt, Moritz

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.

Moritz Schmidt is also Professor for Coordination Chemistry of Radionuclides at BTU Cottbus-Senftenberg. Our group is open for interested Bachelor's and Master's students, as well as research internships. Get in touch with us!

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)

Expired

Spectroscopic characterization of f-Element complexes with soft donor ligands
(f-Char, BMBF, 10/2020 - 03/2024)
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-K_d applications for the long term safety assessment of nuclear waste disposal sites
(SMILE, BMWi, 09/2018 – 02/2022)

Latest publication

Bonding trends in pyridine-2-thiolato complexes of tetravalent actinides

Balas, J.; Urbank, C.; Kaden, P.; Patzschke, M.; März, J.; Kvashnina, K.; Schmidt, M.; Stumpf, T.; Gericke, R.

Abstract

Complexes of tetravalent actinides (An: Th, U, Np, Pu) with the bidentate (N,S)-donor ligand pyridine-2-thiolate (2-PyS, PyS⁻) were synthesized in 1:4 or 1:5 ratios. This includes the first structurally characterized Np complex with (N,S)-donor ligands, filling a notable gap in A coordination chemistry. An improved synthetic approach with PyS–SiMe₃ enabled efficient formation of the 1:4 complexes in THF as coordinating solvent. The compounds were comprehensively characterized in solution and in solid phase, supported by quantum chemical calculations. Experimental and theoretical results show matching trends in the binding behavior of An^IV. The covalent bond contributions in An–N and An–S bonding increase along the series of A from Th to Pu. The bonds to the soft sulfur donors consistently have the highest covalent contributions with a remarkably high percentage for Pu–S (IQA analysis: >34%) over the harder N donors or An–O bonds of coordinating THF. High-resolution X-ray absorption and infrared spectroscopy indicate similar electronic and structural properties across An^IV complexes, while SQUID magnetometry uncovered significant differences in magnetic behavior at low temperatures depending on the complex compositions. This work advances the understanding of An-ligand bonding, emphasizing covalency and electronic structures, and expands fundamental insights into A chemistry.

Keywords: Actinides; single-crystal X-ray diffraction; bonding trends; HERFD-XANES; SQUID

Involved research facilities

Rossendorf Beamline at ESRF DOI: 10.1107/S1600577520014265
Data Center

Related publications

DOI: 10.1107/S1600577520014265 is cited by this (Id 41800) publication

Inorganic Chemistry (2025)
DOI: 10.1021/acs.inorgchem.5c03369

Permalink: https://www.hzdr.de/publications/Publ-41800

More publications

Team

Name	Bld./Office	+49 351 260	Email
Head
Prof. Dr. Moritz Schmidt	801/P249	3156 2536	moritz.schmidthzdr.de
Employees
Name	Bld./Office	+49 351 260	Email
Johannes Balas	801/P205	2438	j.balashzdr.de
Dr. Robert Gericke	801/P205	2011	r.gerickehzdr.de
Dennis Grödler	801/P205	2438	d.groedlerhzdr.de
Dr. Peter Kaden	801/P217	2261	p.kadenhzdr.de
Jessica Lessing	801/P352	3154	j.lessinghzdr.de
Adrian Näder	801/P352	3154	a.naederhzdr.de
Dr. Michael Patzschke	801/P356	2989	m.patzschkehzdr.de
Jason Daniel Ross	801/P306	2860	j.rosshzdr.de
Till Erik Sawallisch	801/P205	2438	t.sawallischhzdr.de
Dr. Bin Yeamin	801/P205	2438	b.yeaminhzdr.de
Actinid chemistry of metall organics
Name	Bld./Office	+49 351 260	Email
Dr. Juliane März	801/P217	3209 2506	j.maerzhzdr.de