Contact

Prof. Dr. Moritz Schmidt

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

Social Media

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

Intramolecular Matere Bonds in Isostructural Rubidium (18-Crown-6) Pertechnetate and Perrhenate Dimers

Yong, C.; Burguera, S.; Grödler, D.; Lenting, C.; Ibrahim, H.; Wickleder, M. S.; Frontera, A.; Strub, E.

Abstract

The synthesis and structural characterisation of isostructural [Rb(18-crown-6)][XO₄] (X = Tc, Re) confirm a dimeric structure, [Rb(18-crown-6)]₂[XO₄]₂. X-ray diffraction analysis reveals that the dimers feature a [Rb₂X₂O₈] core formed by two macrocycle-bound Rb+ cations bridged by XO₄⁻. Their arrangements are directed by Rb–O coordination and by two equivalent X···O Matere bonds (MaBs). Unlike previously reported MaBs that link these oxoanions into extended supramolecular polymers or layers, the interactions described here occur within the discrete dimeric cluster, representing the first such examples of intramolecular MaBs for pertechnetate and perrhenate. Computational analysis clarifies the origin of these contacts. Molecular electrostatic potential maps reveal σ-holes at Tc and Re, supporting MaB formation. Quantum theory of atoms in molecules, noncovalent interaction plots, and natural bond orbital calculations independently confirm the presence and stabilising nature of the X···O interactions. These results highlight the role of σ-hole interactions in determining the solid-state architecture of pertechnetate and perrhenate crown-ether complexes and provide insight relevant to oxoanion behaviour in separation processes and nuclear waste management.

Keywords: σ-hole matere bonds; crown compounds; density functional theory; pertechnetate; Technetium; 99Tc

European Journal of Inorganic Chemistry (2026)
DOI: 10.1002/ejic.70194

Permalink: https://www.hzdr.de/publications/Publ-43360

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			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