MTA-DE Homogeneous Catalysis and Reaction Mechanisms Research Group

HAS, University of Debrecen, Department of Physical-Chemistry




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Dr. Mihály Purgel

mtmt list (Hungarian Scientific Bibliography)




Name:                          Dr. Mihály Purgel

Place and date of birth:  Gyula (Hungary), 31. 07. 1982.


Education and degrees:

Ph.D., University of Debrecen, 2011. (Supervisor: Prof. Dr. Imre Tóth)

Chemistry MSc, University of Debrecen, 2006. (Supervisor: Prof. Dr. Imre Tóth)

Research activity:

Recently I am working on catalytic activity of heavy metals as palladium, ruthenium, iridium and rhodium. I am interested mainly in the reaction mechanism of hydrogenation, redox isomerization and dehalogenation processes using Quantum Mechanical methods.

I am interested also in TD-DFT calculations for simulating UV-Visible spectra and studying excited states, respectively.

From my PhD studies I have been working on intramolecular rearrangements of macrocyclic metal (M3+ metal ions of Group 3A, Ln3+) complexes. I like studying symmetric effects of complexes and conformational properties of isomers with QM methods.

Reactions of small molecules on inorganic systems studying by ab initio Molecular Dynamics.

During my PhD and MSc studies I did multinuclear NMR and UV-Vis measurements on aluminium chelate complexes and on platinum-thallium metal-metal bonded complex in DMSO.


2009. Gold Medal for the Students Scientific Publication of the Year


Professional experience:

Sept. 01. - Dec. 01. 2008. Short Term Scientific Mission of the COST action D38 "Metal-Based Systems for Molecular Imaging Applications" at the University of A Coruña in La Coruña, Spain; Quantum chemical studies on intramolecular rearrangements of Lanthanide-macrocyclic complex.

Feb. 01. - Apr. 02. 2006. Two months at the Royal Institute of Technology in Stockholm, Sweden; Working on thallium(III) - jodide system in pyridin with multinuclear NMR technologies.