PHYSICAL AND ORGANIC CHEMISTRY - K3
- Physical chemistry
- Electrochemical processes of passivation and corrosion on functional metal materials
- Wear of metal implants and related tissue reactions
- Radical reactions and photo-dissociation of chemical species of atmospheric significance
- Simulations of physico-chemical processes at metal surfaces
- Implementation of computer graphics aimed at scientific visualization
- Organic and bioorganic chemistry
- Biomimetic models of halogenations of organic molecules (haloperoxidation)
- Development of new reagents and methods for selective fluorination of organic compounds under mild reaction conditions; reaction mechanism.
- Development of green and sustainable oxidation and halogenation processes.
- Antimalarial peroxides (1,2,4,5-tetraoxanes), their synthesis and structure/activity relationship.
- Fluorous chemistry: new systems for halogenation and oxidation of organic molecules based on advantages of the fluorous phas
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Head of Department
Ingrid Milošev, Ph. D., firstname.lastname@example.org
Telephone: +386 1 477 34 52
Fax: +386 1 477 38 22
In the field of micro- and nanostructured materials the passivation and corrosion procesess on functional metallic materials used in technology and biomedicine are investigated using electrochemical, electroanalytical and surface analytical methods. Degradation processes on orthopaedic implants in vivo are investigated in collaboration with orthopaedic surgeons.
Theoretical studies based on quantum-chemical calculations are focused to a radical-radical reactions mechanism and photodissociation of intermediates associated with catalytic cycles leading to the destruction of tropospheric and stratospheric ozone. We also study by means of density-functional-theory calculations some elementary steps in important surface reaction processes based on heterogeneous metallic catalysis. We have developed an XCRYSDEN computer program (http://www.xcrysden.org/), which is a crystalline- and molecular-structure visualisation program and therefore a useful tool in analysing results of computer simulations.
The main point of our research in the field of organic chemistry is connected by selective halogenation of organic compounds under mild reaction conditions using reagents and conditions carrying biomimetic characteristics. Special attention is dedicated to the green chemistry approach to these reactions and eco-friendly moderators (hydrogen peroxyde) and reagents (iodine, X-L reagents) are investigated using water, fluorous solvents or solvent-free conditions. Regio and stereoselective synthesis of tetraoxanes, new generation of potential antimalaric agents, is investigated.