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.
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.
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 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.
Publication entitled "Michael addition-driven synthesis of cytotoxic palladium(II) complexes from chromone thiosemicarbazones: investigation of anticancer activity through in vitro and in vivo studies" (authors: J. Haribabu, N. Balakrishnan, S. Swaminathan, D.P. Dorairaj, M. Azam, M.K.M. Subarkhan, Y.-L. Chang, S.C.N. Hsu, P. Štarha, R. Karvembu) has been published in the chemistry journal New Journal of Chemistry.
A series of Pd(II) complexes with tridentate chromone-based thiosemicarbazones (TSCs) was prepared, characterized by appropriate analytical techniques and studied for their anticancer activity. The TSC ligands used in the syntheses were subjected to in situ Michael addition. Two complexes exhibited low-micromolar antiproliferative activity against HeLa cervical cancer cells. The complexes were also studied for their mechanism of action and tested for their toxicity in vivo. In contrast to tissue-damaging cisplatin, normal cell and tissue architecture was observed in mice treated with Pd(II) complexes.
Publication entitled „Lanthanoid coordination prompts unusually distorted pseudo-octahedral NiII coordination in heterodinuclear Ni–Ln complexes: synthesis, structure and understanding of magnetic behaviour through experiment and computation" (authors: Biswarup Dutta; Thierry Guizouarn; Fabrice Pointillart; Kamil Kotrle; Radovan Herchel; Debashis Ray) has been published in the chemistry journal Dalton Transactions.
In this paper, a series of complexes [NiLn(L)2(NO3)3] (Ln = Gd, Tb, Dy, Ho, Er, Yb, Y) with a Schiff base ligand were prepared. These complexes underwent characterization through X-ray structural studies and other physical-chemical methods. Additionally, their magnetic properties were explored using both experimental and theoretical methods. The results indicated that the complexes of Dy, Er, and Yb exhibit characteristics of field-induced single-molecule magnets.