Spin density distribution and mezoscopic magnetism of molecular creations designed from oligomeric metal coordination compounds
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GERASIMCHUK, A.; ZHELEZNOVA, L.; MAZURENKO, Y.. Spin density distribution and mezoscopic magnetism of molecular creations designed from oligomeric metal coordination compounds. In: Physical Methods in Coordination and Supramolecular Chemistry. XVII, 27 septembrie - 1 octombrie 2006, Chişinău. Chisinau, Republic of Moldova: 2006, p. 130. ISBN 978-9975-62-066-6.
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Physical Methods in Coordination and Supramolecular Chemistry
XVII, 2006
Conferința "The XV-th International Conference Physical Methods in Coordination and Supramolecular Chemistry : The XVII-th Reading in memory of Acad. A.Ablov"
Chişinău, Moldova, 27 septembrie - 1 octombrie 2006

Spin density distribution and mezoscopic magnetism of molecular creations designed from oligomeric metal coordination compounds


Pag. 130-130

Gerasimchuk A., Zheleznova L., Mazurenko Y.
 
Vernadsky Institute of General and Inorganic Chemistry NAS Ukraine
 
Disponibil în IBN: 10 iunie 2020


Rezumat

Magnetic clusters formed by oligomerization of transitive metals (Fe, Mn, etc.) diketonates are considered as «large blocks» for designing of new materials and devices. The oligomeric diketonate metal complexes can be formed by two ways: by bridge coordination [1] and sewing together by means of nonsaturated aliphatic assistants [2]. In both cases the formation of the total magnetic moment is determined by distribution of electronic (and spin) density in polynuclear complex. The elementary act of ordering of the magnetic moments is a formation of total spin density of dimer from spin density of monomers. We fulfilled QC calculations of distribution of full spin density. In Fig 1. the full spin density distribution of monomer - copper acetylacetonate is shown. In a gas phase this complex is paramagnetic. Distribution of spin density shows, that formation of magnetic clusters at oligomerization can go with the directed formation of longitudinal and crosssection components of a gradient of spin density along reaction coordinate. So at formation of macrocyclic oligomers, it is possible to obtain a molecular magnet with a circular magnetic field inside of a ring. It opens an opportunity for designing of molecular magnets of a various configuration and purpose.