Thesis supervisor: László Hegedűs
Location of studies (in Hungarian): BME Szerves Kémia és Technológia Tanszék Abbreviation of location of studies: BME
Description of the research topic:
"The liquid-phase heterogeneous catalytic hydrogenation is a typical reduction method in the fine chemical industry (e.g. pharmaceutical industry). However, selectivity problems can arise in case of more reducible functional groups. Moreover, the reduction of compounds having catalyst poisoning character (typically substances containing nitrogen, phosphorus or sulphur) should also be accomplished, because they are usually important and valuable pharmaceutical, plastic or agrochemical intermediates. However, the activity of a catalyst (typically supported palladium, platinum, ruthenium or rhodium catalysts) often decreases or ceases completely during the hydrogenation of such type compounds, i.e. the catalyst is poisoned.
During the research work our aim is partly to carry out hydrogenations of some newer substances (e.g. nitriles to primary amines), which can be important and valuable pharmaceutical intermediates. On the other hand, we try to obtain more detailed information about the interactions between catalytic metals and substrates. We will examine how certain factors influence poisoning of the catalysts during the hydrogenation, what kind of relationship is between the structure of substrate and the activity, as well as the structure of the metal catalyst. To receive more thorough information about these phenomena, we will use quantum chemical calculation methods."
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