Head: Dr. István Fábián
Teaching staff involved in the programme:
- György Bazsa
- Attila Bényei
- Csilla Enikő Czégéni
- Zoltán Dudás
- István Fábián
- Attila Forgács
- Oldamur Hollóczki
- Henrietta Horváth
- Ferenc Joó
- József Kalmár
- Ágnes Kathó
- Adél Len
- Norbert Lihi
- Nóra May
- Gábor Papp
- Mária Szabó
- Zoltán Tóth
- Antal Udvardy
Research topics
Organometallic catalysis in aqueous media and its application in organic synthesis. Mechanisms of catalytic solution reactions. Mechanisms of redox reactions with complex kinetics. Synthesis and characterisation of functionalised aerogels. Heterogenisation of molecular catalysts. Solid-state reactions. Application of X-ray diffraction in supramolecular chemistry. Structure determination from powder diffraction data. Investigation of the polymorphism of pharmaceutical active ingredients. Computer-aided molecular modelling.
Description of the Doctoral Programme
The program is based on the achievements of the traditionally strong research activity in reaction kinetics and materials science at the Institute of Chemistry, University of Debrecen.
In the field of homogeneous catalysis, we investigate the chemical features and applications of metal-organic catalyzed reactions in aqueous media (e.g., hydrogenation, deuteration, redox isomerization, carbon-carbon cross-couplings), as well as the homogeneous catalytic transformations of carbon dioxide and nitrogen oxides. As soluble catalysts, we primarily use platinum metal complexes containing tertiary phosphines, N-heterocyclic carbenes, and hydrogenated salen (salan) ligands, the synthesis and characterization of which are of fundamental importance in our studies. We prepare stabilized metal colloids and study their use as efficient hydrogenation catalysts in aqueous solution. Using a microfluidic hydrogenation reactor and employing microwave activation, we explore the possibilities for new types of organic syntheses. Solid-phase reactions are mainly applied to produce new ligands and catalytically active metal complexes, as well as to develop simple and fast methods for the preparation of known catalysts. Based on these results, we develop new chemical hydrogen storage systems. Using planetary and vibratory ball mills, we design standardized grinding programs for mechanochemical reactions.
Our studies on the kinetics and mechanisms of complex redox reactions focus on the following topics: redox reactions of chlorine, sulfur(IV), oxychlorine and peroxo compounds; the reactions of reactive oxygen species (ROS); the synthesis, characterization, and coordination chemistry of substituted 1,10-phenanthroline N-oxides; the activation of O₂; and the models of metalloenzymes that regulate ROS concentrations in biological systems. This research activity is based on the following tasks: i) identification and characterization of reactive intermediates; ii) thorough investigation of the kinetics of the reactions and determination of the rate equation for each step; iii) recognition of the dominant reaction paths; iv) exploring the kinetic couplings between competing reaction paths; and v) developing detailed models for the interpretation of the kinetic and stoichiometric properties by evaluating all experimental data simultaneously. The results can be useful in practical applications related to environmental chemistry, drinking and wastewater treatment technologies, greywater recycling, disinfection, bleaching, high-efficiency industrial oxidation processes, etc., and facilitate understanding the chemical background of various in vivo redox processes.
Over the course of our studies on aerogels, we develop optimized methods for synthesizing high-porosity materials suitable for various applications, including removal of toxic metal ions from water and air; creation of special thermal insulation systems, also applicable in space technology; high-efficiency heterogeneous catalysis; artificial active bone replacement; designing new drug carriers; enzyme immobilization; and the production of photocatalytic aerogel hybrid systems. We explore the relationships between the composition, structure, and various physical and chemical properties of aerogels. The results make it possible to design and produce new functionalized materials with special properties.
The structural investigation of new compounds, heterogeneous catalysts and aerogels is closely related to the previously mentioned research areas. For this purpose, single crystal X-ray diffraction structure analysis method is used. Other topics of studying solid state materials include supramolecular chemistry, structure determination from powder diffraction data, and the investigation of the polymorphism of active ingredients in pharmaceutical products.
Computational chemistry is extensively used to support experimental data in all research areas of the program. In addition, the impact of nanomaterials on the environment and human health is investigated using computational molecular modelling methods. This research area contributes to understanding of how nanomaterials interact with biomolecules and how they change the secondary structure of proteins and cell membranes. The results will be used to clarify how these interactions may contribute to the development of various neurodegenerative diseases.
The Council of the Doctoral School of Chemistry has decided that research on didactical issues in the teaching of chemistry at primary, secondary and tertiary level is to be carried out within this program. The significance of education in the development of the chemical knowledge and attitudes of the youth and adult population is extensively analyzed. These studies are highly relevant in training and supplying chemistry teachers. Regular surveys are conducted among primary and secondary school students to understand the impact and role of various factors (textbook, teaching methods, everyday experiences, etc.) that determine their conceptual development. We aim to identify the knowledge structure that mostly characterizes students using knowledge space theory and word association methods.