Contact

Porträt PD Dr. habil. Schmidt, Moritz; FWOF

PD Dr. habil. 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.

Our group is open for interested Bachelor's and Master's students, as well as research internships. Get in touch with us!

Latest Publication

Investigating Recurrent Matere Bonds in Pertechnetate Compounds

Grödler, D.; Burguera, S.; Frontera, A.; Strub, E.

Abstract

In this manuscript we evaluate the X-ray structure of five new pertechnetate derivatives of general formula [M(H₂O)₄(TcO₄)₂], M=Mg, Co, Ni, Cu, Zn (compounds 1–5) and one perrhenate compound Zn(H₂O)₄(ReO₄)₂ (6). In these complexes the metal center exhibits an octahedral coordination with the pertechnetate units as axial ligands. All compounds exhibit the formation of directional Tc⋅⋅⋅O Matere bonds (MaBs) that propagate the [M(H₂O)₄(TcO₄)₂], into 1D supramolecular polymers in the solid state. Such 1D polymers are linked, generating 2D layers, by combining additional MaBs and hydrogen bonds (HBs). Such concurrent motifs have been analyzed theoretically, suggesting the noncovalent σ-hole nature of the MaBs. The interaction energies range from weak (~ −2 kcal/mol) for the MaBs to strong (~ −30 kcal/mol) for the MaB+HB assemblies, where HB dominates. In case of M=Zn, the corresponding perrhenate Zn(H₂O)₄(ReO₄)₂ complex, has been also synthesized for comparison purposes, resulting in the formation of an isostructural X-ray structure, corroborating the structure-directing role of Matere bonds.

Keywords: Pertechnetate; Perrhenate; matere bonds; supramolecular chemistry

Chemistry - A European Journal 30(2024)22
DOI: 10.1002/chem.202400100
Cited 1 times in Scopus

Permalink: https://www.hzdr.de/publications/Publ-39722

More publications

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-K_d applications for the long term safety assessment of nuclear waste disposal sites
(SMILE, BMWi, 09/2018 – 02/2022)

Team

Name	Bld./Office	+49 351 260	Email
Head
PD Dr. habil. 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
Aliaksandra Khokh	801/P219	3194	a.khokhhzdr.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
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