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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!

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)

Latest publication

A Series of AnVIO22+ Complexes (An = U, Np, Pu) with N3O2‑Donating Schiff-Base Ligands: Systematic Trends in the Molecular Structures and Redox Behavior

Takeyama, T.; Tsushima, S.; Gericke, R.; Duckworth, T.; Kaden, P.; März, J.; Takao, K.

Abstract

In their +V and +VI oxidation states, actinide elements (U, Np, and Pu) are commonly encountered in characteristic linear dioxo structures, known as actinyl ions (AnO2n+; An = U, Np, Pu, n = 1, 2). A systematic understanding of the structural and redox behavior of AnVO2+/AnVIO22+ complexes is expected to provide valuable information for controlling the behavior of An elements in natural environments and in nuclear fuel cycles whilst enabling the development of spintronics and new reactivities that utilize the anisotropic spin of the 5f electrons. However, systematic trends in the behavior of AnVO2+/AnVIO22+ complexes remain poorly understood. The [AnV/VIO2(saldien)]−/0 complexes (saldien2− = N,N’-disalicylidenediethylenetriamine) studied here offer a promising avenue for advancing our understanding of this subject. The molecular structures of a series of [AnVIO2(saldien)] complexes were found to exhibit notable similarities through these An elements with minor, but still significant, contributions from the actinide contraction. The redox potentials of the [AnV/VIO2(saldien)]−/0 couples clearly increase from U to Np, followed by a subsequent decrease from Np to Pu (−1.667 V vs. Fc0/+ for [UV/VIO2(saldien)]−/0, −0.650 V for [NpV/VIO2(saldien)]−/0 and −0.698 V for [PuV/VIO2(saldien)]−/0). Such a difference can be explained in terms of the difference in character of the electronic configuration of the +VI oxidation state. A series of these redox trends was also successfully reproduced by DFT-based calculations. These findings provide valuable information for controlling the oxidation states of the An elements.

Keywords: Actinides; Complexes; Reduction; Ligands; Crystal structure

Inorganic Chemistry 64(2025)3, 1313-1322
DOI: 10.1021/acs.inorgchem.4c04185

Permalink: https://www.hzdr.de/publications/Publ-40675

More publications

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
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