Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Determination of Strongly Interacting Spin Exchange Paths in Cu2(O3PCH2PO3) on the Basis of Spin Dimer Analysis

  • Bae, Hyun-Woo (Department of Chemistry and Research Institute of Basic Science of Kyung Hee University) ;
  • Koo, Hyun-Joo (Department of Chemistry and Research Institute of Basic Science of Kyung Hee University)
  • Published : 2008.01.20
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Abstract

The magnetic properties of the organic/inorganic hybrid copper-methylenediphosphonate, Cu2(O3PCH2PO3) were examined by performing the spin dimer analysis based on the extended Hckel tight binding method. In Cu2(O3PCH2PO3) the CuO3 chains made up of edge-sharing CuO5 square pyramidal units are inter-linked by O-P-O bridges. The Cu-O-Cu superexchange interactions of the CuO3 chains are negligibly weak compared with the Cu-O…O-Cu super-superexchange interactions that occur between the CuO3 chains. The spin exchange interactions of Cu2(O3PCH2PO3) are dominated by three super-superexchange interactions, which leads to a three-dimensional antiferromagnetic spin lattice. The strongest spin exchange interactions form isolated spin dimers, which suggests that, to a first approximation, the magnetic properties can be described in terms of an isolated spin dimer model.

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References

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