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The spin exchange interactions of (VO)2(H2O){O3P-(CH2)3-PO3}·2H2O were examined by spin dimer analysis based on extended Huckel tight binding method. The strongest spin exchange interaction occurs through the super-superexchange path J2 and the second strongest spin exchange interaction occurs through the superexchange interaction path J1. There are two strongly interacting spin exchange paths in (VO)2(H2O){O3P-(CH2)3-PO3}·2H2O. Therefore, magnetic susceptibility curve of (VO)2(H2O){O3P-(CH2)3-PO3}·2H2O can be well reproduced by an alternating onedimensional antiferromagnetic chain model rather than an isolated spin dimer model.

bulletin of the korean chemical society

Determination of Strongly Interacting Spin Exchange Path and Spin Lattice Model of (VO)2(H2O){O3P-(CH2)3-PO3}ㆍ2H2O on the Basis of Spin Dimer Analysis