The Department of Inorganic Chemistry guarantees the studies in the fields of Inorganic Chemistry, Bioinorganic Chemistry, and Chemistry for Teaching in bachelor's, master's and doctoral study programmes.

As a part of our research, we focus on the preparation and study of new coordination compounds of transition metals, in particular, on the development of new compounds with medicinal application potential (e.g. substances with antitumour, anti-inflammatory or antidiabetic activity or contrast agents for diagnostic imaging methods) or compounds with interesting magnetic, optical or catalytic properties with industrial application potential (e.g. high-density storage media, various types of sensors).

Our teaching activites, as a guarantor of Chemistry for Teaching studies at the Faculty of Science of Palacký University, are also focused on increasing pupils' and students' interest in science and motivation to study science, co-organizing chemical Olympics and also on extracurricular chemical activities for primary and secondary school students.


Student Publication in Inorganic Chemistry Frontiers

Journal cover 13. December 2023

Publication entitled „2-Formylphenoxyacetic acid Schiff bases: a promising ligand scaffold for readily available trigonal prismatic Co(II) single-ion magnets" (authors: Kamil Kotrle, Ivan Nemec, Peter Antal, Kamila Petrželová, Erik Čižmár, Radovan Herchel) has been published in the chemistry journal Inorganic Chemistry Frontiers.

This work is focused on the preparation and characterization of a series of cobalt complexes with Schiff base ligands that tend to adopt the shape of a trigonal prism. These complexes were synthesized, structurally characterized, and subsequently subjected to magnetic measurements using magnetometry and EPR spectroscopy. It was found that the complexes exhibit single-molecule magnet properties in the presence of a magnetic field. One of the complexes was magnetically diluted, revealing single-molecule magnet properties even in a zero field. These properties were further investigated through theoretical calculations.

Student Publication in Dalton Transactions

Journal cover 12. December 2023

Publication entitled „Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)" (authors: E. Zahradníková, J. P. Sutter, P. Halaš, B. Drahoš ) has been published in the chemistry journal Dalton Transactions.

In this work, we were dealing with the preparation of cobalt(II) complexes with 17-membered pyridine-piperazine macrocyclic ligand with atypical shape of trigonal prism coordination polyhedron. The ligand is coordinated by all five N-donor atoms and the last position is occupied by monovalent coligand – halide or pseudohalide. A negative value of the D-parameter describing the magnetic anisotropy in the range -20 to -41 cm-1 was found for all complexes and the magnetic behaviour was investigated using theoretical calculations and magnetochemical measurements. Five field-induced single-molecule magnets were prepared and the magnetostructural correlations were investigated.

Publication in Coordination Chemistry Reviews

Journal cover 12. December 2023

Publication entitled "Platinum(IV) and platinum(II) anticancer complexes with biologically active releasable ligands" (authors: P. Štarha, R. Křikavová) has been published in Coordination Chemistry Reviews.

In this review article, we focused on a comprehensive overview of the structural types of multi-targeted Pt(IV) complexes, and they were categorized according to various criteria - a parent Pt(II) complex, a number and type of bioactive ligands, a type of second (innocent) axial ligand, and nuclearity. For the first time, we also reviewed multi-targeted Pt(II) complexes releasing cytotoxic Pt(II) species and bioactive ligand(s) as well, which also allowed a critical comparison of the two structural types. Special attention is paid to the discussion of the solution behaviour, activation and biological activity of the reviewed types of Pt complexes. Relevant comparison of these crucial features should be beneficial for future development of these pharmacologically highly perspective compounds.

Student Publication in Magnetochemistry

Journal cover 28. November 2023

Publication entitled "Honey-like Odor Meets Single-Ion Magnet: Synthesis, Crystal Structure, and Magnetism of Cobalt(II) Complex with Aromatic Trans-Cinnamic Acid" (authors: P. Halaš, I. Nemec, R. Herchel) has been published in the chemistry journal Magnetochemistry.

This work presents synthesis and physicochemical characterization of Co(II) complex containing neocuproine and cinnamic acid as ligands. Coordination polyhedron assumes deformed octahedral shape, mostly due to the unusual bidentate coordination mode of the cinnamate anion. Complex exhibits slow relaxation of magnetization under applied field and axial type of magnetic anisotropy with parameter D = 53.2 cm−1. Analysis of magnetic properties was supported by CASSCF/NEVPT2 calculations.


Student Publication in Inorganic Chemistry

Journal cover 07. November 2023

Publication entitled „Theoretical Magnetic Relaxation and Spin–Phonon Coupling Study in a Series of Molecular Engineering Designed Bridged Dysprosocenium Analogues" (authors: Kamil Kotrle, Mihail Atanasov, Frank Neese, Radovan Herchel ) has been published in the chemistry journal Inorganic Chemistry.

The work is based on theoretical calculations focused on the magnetic properties of a series of dysprosocenium-type complexes. For these complexes, structure optimizations were performed, an analysis of their vibrational frequencies was conducted, and subsequently, their energy barriers Ueff were studied using methods based on CASSCF calculations. Furthermore, spin-phonon coupling was investigated, where a new method based on comparing the influence of molecular vibrations on the energy barrier was developed and compared to the already used method, which relies on crystal field parameters. The study of these substances revealed interesting structural correlations that could potentially be utilized in the design of single-molecule magnets with high blocking temperatures.

Publication in Dalton Transactions

Journal cover20. September 2023

Publication entitled „Impact of the central atom and halido ligand on the structure, antiproliferative activity and selectivity of half-sandwich Ru(II) and Ir(III) complexes with a 1,3,4-thiadiazole-based ligand" (authors: R. Křikavová, M. Romanovová, Z. Jendželovská, M. Majerník, L. Masaryk, P. Zoufalý, D. Milde, J. Moncol, R. Herchel, R. Jendželovský, I. Nemec) has been published in the chemistry journal Dalton Transactions.

Half-sandwich Ru(II) and Ir(III) complexes with a thiadiazole-based ligand L1 (2-(furan-2-yl)-5-(pyridin-2-yl)-1,3, 4-thiadiazole) were synthesized and characterized by different analytical methods. The structures of the molecules were analysed and interpreted by computational methods (DFT and QT-AIM). The complexes showed the ability to oxidize NADH to NAD+, with the Ir(III) complexes exhibiting higher catalytic activity compared to their Ru(II) analogues. The results of in vitro testing of antiproliferative activity showed that Ir(III) complexes had no effect on healthy human fibroblasts, demonstrating their selectivity. In contrast, the complexes showed inhibitory effects on the metabolic and proliferative activity of cancer cells.

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