SVIBOR - Project code: 1-07-165

MINISTRY OF SCIENCE AND TECHNOLOGY

Strossmayerov trg 4, HR - 10000 ZAGREB
tel.: +385 1 459 44 44, fax: +385 1 459 44 69
E-mail: ured@znanost.hr

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Project code: 1-07-165


Structures, Properties and Reactivities of Chemical Systems


Main researcher: KLASINC, LEO (21130)


Assistants
Type of research: basic
Duration from: 01/01/91. to 12/31/95.
Papers on project (total): 260
Papers on project quoted in Current Contents: 130
Institution name: Institut "Ruđer Bošković", Zagreb (98)
Department/Institute: Department of Chemistry Division of Physical Chemistry
Address: Bijenička cesta 54
City: 10000 - Zagreb, Croatia
Communication
Fax: 385 (0)1 27 26 48
Phone: 385 (0)1 456 11 11
E-mail: Klasinc@olimp.irb.hr
Summary: Investigation of electronic structure, properties and activity of biological molecules (vitamins, steroids, drugs etc.). Investigation of states of free atoms, molecules and ions, determination of their electronic and geometric structure, study of their excitation, emission, ionization, relaxation as well as fragmentation processes and study of their reactions in the gas phase. Determination, monitoring and reactions of atmospheric microconstituents and modelling of their transport and degradation. Homogeneous reactions of transition metal complexes, homogeneous catalysis and free radical reactions. Kinetics and mechanism of reactions of ions, radicals and excited molecules using time resolved methods. Investigation of reactions of metals with macrocyclic and organophosphorous compounds, as well as with metal cluster systems, with particular emphasis on elucidation of properties of complex metal compounds which appear as active compounds in homogeneous and heterogeneous catalysts.

Keywords: atmospheric chemistry, catalysis, kinetics, electronic structure, excited states of atoms and molecules, reaction mechanisms,theoretical chemistry, photochemistry, spectroscopy, computers in chemistry, modelling, QSAR

Research goals: Fields of physical chemistry: spectroscopy, kinetics and atmospheric chemistry which are the subject of this project, are currently in great expansion caused by (i) development of measurement and computational techniques (ii) introduction of new (mainly laser) spectroscopic methods and (iii) need for systematic interpretation of experimental data regarding systematization and definition of fundamental relationships between measured values and behavior, i.e. wanted properties of investigated compounds and systems. Besides in mastering new technologies and education of scientific stuff, the level of knowledge achieved from the project is expected to be a basis for decision making concerning new developing areas and improvement of life quality. Following investigations have been performed in detail: Investigation of electronic structure, properties and activity of biological molecules (vitamins, steroids, drugs etc.). Investigation of states of free atoms, molecules and ions, determination of their electronic and geometric structure, study of their excitation, emission, ionization, relaxation as well as fragmentation processes and study of their reactions in gas phase. Determination, monitoring and reactions of atmospheric microconstituents and modelling of their transport and degradation. Homogeneous reactions of transition metal complexes, homogeneous catalysis and free radical reactions. Kinetics and mechanism of reactions of ions, radicals and excited molecules using time resolved methods. Investigation of reactions of metals with macrocyclic and organophosphorous compounds, as well as with metal cluster systems, with particular emphasis on elucidation of properties of complex metal compounds which appear as active compounds in homogeneous and heterogeneous catalysts.

COOPERATION - PROJECTS


  1. Name of project: PN-962 Gas Phase Electronic Structure of Unsaturated Stereoids
    Name of institution: National Institutes of Health
    City: Bethesda, SAD

  2. Name of project: PN-943 Reakcije organometalnih kompleksa prijelaznih metala
    Name of institution: Ames National Laboratory, Department of Energy
    City: Ames, SAD

  3. Name of project: Elektronski pobuđna stanja molekula i kemija okoliš
    Name of institution: Internationales Buero, Forschungszentrum Juelich
    City: Juelich, Njemačka

  4. Name of project: Production, Destruction and Transport of Photochemical Oxidants in the Mediterranean
    Name of institution: World Meteorological Organization
    City: Ženeva, Švicarska

  5. Name of project: Ozone Measurements in Zagreb and in the Northern Adriatic Region of Croatia
    Name of institution: Fraunhofer Institut, EUROTRAC-TOR, EUREKA program
    City: Garmisch-Partenkirchen, Njemačka

  6. Name of project: Metalni kompleksi od biološke i farmakološke važnosti
    Name of institution: Instituto di Farmacologia e Farmacognosia, University of Trieste
    City: Trst, Italija

COOPERATION - INSTITUTIONS


  1. Name of institution: Farmaceutsko-biokemijski fakultet, Sveučilište u Zagrebu
    Type of institution: University/Faculty
    Type of cooperation: Joint publishing of scientific papers
    City: 10000 - Zagreb, Croatia

  2. Name of institution: Computing Centre, University Duesseldorf
    Type of institution: University/Faculty
    Type of cooperation: Joint publishing of scientific papers
    City: Duesseldorf, Njemačka

  3. Name of institution: Argonne National Laboratory
    Type of institution: State institute
    Type of cooperation: Systematic exchange of experts
    City: Argonne, SAD

  4. Name of institution: Louisiana State University, Department of Chemistry
    Type of institution: University/Faculty
    Type of cooperation: Joint publishing of scientific papers
    City: Baton Rouge, SAD

  5. Name of institution: National University of Singapore, Department of Chemistry
    Type of institution: University/Faculty
    Type of cooperation: Joint publishing of scientific papers
    City: Singapore, Singapore

  6. Name of institution: Univerza v Ljubljani, Fakulteta za naravoslovje in tehnologijo
    Type of institution: University/Faculty
    Type of cooperation: Systematic exchange of information
    City: Ljubljana, Slovenija

  7. Name of institution: Prirodoslovno-matematički fakultet, Sveučilište u Zagrebu
    Type of institution: University/Faculty
    Type of cooperation: Joint publishing of scientific papers
    City: 10000 - Zagreb, Croatia

  8. Name of institution: Rega Institute for Medical Research, Katholieke Universitet Leuven
    Type of institution: University/Faculty
    Type of cooperation: Joint publishing of scientific papers
    City: Leuven, Belgija

  9. Name of institution: Consiglio Nazionale delle Ricerche, Area della Ricerca di Padova
    Type of institution: State institute
    Type of cooperation: Systematic exchange of information
    City: Padova, Italija

  10. Name of institution: Institute for Meteorology and Climate Research, Research Center Karlsruhe
    Type of institution: State institute
    Type of cooperation: Joint publishing of scientific papers
    City: Karlsruhe, Njemačka

  11. Name of institution: Department of Inorganic Chemistry, Technical University Budapest
    Type of institution: University/Faculty
    Type of cooperation: Joint publishing of scientific papers
    City: Budimpešta, Mađarska

  12. Name of institution: Department of Organic Chemistry, St. Petersburg Forest Technical Academy
    Type of institution: University/Faculty
    Type of cooperation: Joint publishing of scientific papers
    City: St. Petersburg, Rusija

  13. Name of institution: Aristoteles University, Thessaloniki
    Type of institution: University/Faculty
    Type of cooperation: Joint publishing of scientific papers
    City: Solun, Grčka

  14. Name of institution: Hahn-Meitner-Institut, Berlin
    Type of institution: State institute
    Type of cooperation: Joint publishing of scientific papers
    City: Berlin, Njemačka

  15. Name of institution: Universite de Nice, Laboratoire de Biophisique
    Type of institution: University/Faculty
    Type of cooperation: Systematic exchange of information
    City: Nica, Francuska

  16. Name of institution: Laboratoire d' Aerologie, CNRS-URA 0354 Universite Paul Sabatier
    Type of institution: State institute
    Type of cooperation: Systematic exchange of information
    City: Toulouse, Francuska

  17. Name of institution: Universite Paris, XXII-Creteil, Laboratoire Physico-Chimie de l' Environnement
    Type of institution: University/Faculty
    Type of cooperation: Systematic exchange of information
    City: Creteil, Francuska

  18. Name of institution: LSMCL-IPEM, Technopole 2000 Metz
    Type of institution: University/Faculty
    Type of cooperation: Systematic exchange of experts
    City: Metz, Francuska

  19. Name of institution: Državni hidrometeorološki zavod
    Type of institution: State institute
    Type of cooperation: Joint publishing of scientific papers
    City: 10000 - Zagreb, Croatia

  20. Name of institution: Radiation Laboratory, University of Notre Dame
    Type of institution: State institute
    Type of cooperation: Joint publishing of scientific papers
    City: Notre Dame, SAD
Other information about the project.
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Last update: 10/04/95
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