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Croatica Chemica Acta, Vol. 84 No. 4, 2011.

Izvorni znanstveni članak
https://doi.org/10.5562/cca1870

Magneto-structural Correlations in Doubly Hydroxo-bridged Cu(II)-Dimers

Stefan Lebernegg ; Department of Materials Engineering and Physics, University of Salzburg, Hellbrunnerstrasse 34, 5020 Salzburg, Austria

Puni tekst: engleski, pdf (3 MB) str. 505-513 preuzimanja: 513* citiraj
APA 6th Edition
Lebernegg, S. (2011). Magneto-structural Correlations in Doubly Hydroxo-bridged Cu(II)-Dimers. Croatica Chemica Acta, 84 (4), 505-513. https://doi.org/10.5562/cca1870
MLA 8th Edition
Lebernegg, Stefan. "Magneto-structural Correlations in Doubly Hydroxo-bridged Cu(II)-Dimers." Croatica Chemica Acta, vol. 84, br. 4, 2011, str. 505-513. https://doi.org/10.5562/cca1870. Citirano 08.03.2021.
Chicago 17th Edition
Lebernegg, Stefan. "Magneto-structural Correlations in Doubly Hydroxo-bridged Cu(II)-Dimers." Croatica Chemica Acta 84, br. 4 (2011): 505-513. https://doi.org/10.5562/cca1870
Harvard
Lebernegg, S. (2011). 'Magneto-structural Correlations in Doubly Hydroxo-bridged Cu(II)-Dimers', Croatica Chemica Acta, 84(4), str. 505-513. https://doi.org/10.5562/cca1870
Vancouver
Lebernegg S. Magneto-structural Correlations in Doubly Hydroxo-bridged Cu(II)-Dimers. Croatica Chemica Acta [Internet]. 2011 [pristupljeno 08.03.2021.];84(4):505-513. https://doi.org/10.5562/cca1870
IEEE
S. Lebernegg, "Magneto-structural Correlations in Doubly Hydroxo-bridged Cu(II)-Dimers", Croatica Chemica Acta, vol.84, br. 4, str. 505-513, 2011. [Online]. https://doi.org/10.5562/cca1870

Sažetak
The magneto-structural correlations of superexchange-coupled doubly hydroxo-bridged Cu(II)-
dimers have been investigated. To this end, an analytical approach has been applied to [Cu2(OH)2F4]2–
model complexes. This approach supplies an analytical scheme, based on orbital interactions, for calculating
the transfer integral, HAB, which is shown to play the key role in the magnetic coupling constant J for
understanding magneto-structural correlations. The single contributions to the transfer integral are calculated
and described explicitly. Therefore, this approach supplies a detailed insight into the magnetic behavior
and the interaction mechanisms of the hydroxo-bridged Cu-dimers. All analytical results are compared
with experimental and numerical data. (doi: 10.5562/cca1870)

Ključne riječi
molecular magnetism; superexchange; hydroxo-bridged Cu-dimers; density functional theory

Hrčak ID: 75061

URI
https://hrcak.srce.hr/75061

Posjeta: 771 *