| Autor: |
Thuesen CA; Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100, Copenhagen, Denmark., Weihe H, Bendix J, Piligkos S, Mønsted O |
| Jazyk: |
angličtina |
| Zdroj: |
Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2010 May 28; Vol. 39 (20), pp. 4882-5. Date of Electronic Publication: 2010 Apr 22. |
| DOI: |
10.1039/b925254a |
| Abstrakt: |
We show that high-temperature expansion of the partition function is a computationally convenient tool to interpretation of magnetic properties of spin clusters wherein the spin centers are interacting via an isotropic Heisenberg exchange operator. High-temperature expansions up to order 12 are used to reproduce temperature dependent magnetic susceptibilities of a Cr(III) tetramer, a decanuclear Fe(III) wheel, a 3x3 grid arrangement of nine Mn(II) ions, and a dodecanuclear Ni(II) wheel. Excellent agreement with experiments as well as with results from computationally more elaborate methods is achieved. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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