Disputas: Tatyana Strenalyuk

cand.scient. Tatyana Strenalyuk ved Kjemisk institutt vil forsvare sin avhandling for graden ph.d. (philosophiae doctor): Molecular structure of phthalocyanine complexes using gas-phase electron diffraction and quantum chemical calculations

Prøveforelesning

Se prøveforelesning

Bedømmelseskomité

Professor Heinz Oberhammer, Institut für Physikalische und Theoretische Chemie, Universität Tübingen, Tyskland
Førsteamanuensis Thomassen, Høgskolen i Oslo
Professor Carl Henrik Gørbitz, Kjemisk institutt, Universitetet i Oslo

Leder av disputas:  Professor Arne Haaland

Veileder:  Professor Svein Samdal, professor Trygve Helgaker

Sammendrag

Phthalocyanine complexes are synthetic analogies of biologically important molecules like haemoglobin and chlorophyll. Phthalocyanine complexes have many industrial applications. We performed reinvestigations of the molecular structure of phthalocyaninatozinc(II) and phthalocyaninatotin(II) in order to get more accurate and precise results than available literature. The molecular structure of gaseous metal-free phthalocyanine, hexadecafluorophthalocyaninatozinc(II), chloroaluminum(III)-phthalocyanine and chlorogallium(III)-phthalocyanine have been determined for the first time. Theoretical calculations show that all studied complexes are flexible molecules performing large movements around their equilibrium geometry. This fact has a significant influence on the geometry of phthalocyanine complexes. Our results obtained by the gas-phase electron diffraction method and quantum chemical calculations confirmed that planarity of phthalocyanine complex depend on the size and oxidation state of the central metal atom. We also found that outer substitutes of phthalocyanine macrocycle have small influence on the molecular structure.

Kontaktperson

For mer informasjon, kontakt Raul Boris Briceno.

Publisert 30. mars 2012 15:49 - Sist endret 13. apr. 2012 10:20