Abstract
Parameters of exchange interactions in heterospin chain polymeric complexes of Cu(hfac)2 (hfac is hexafluoroacetylacetonate anion) with pyrazolyl-substituted nitronyl nitroxides LR (R = Me, Et, Pr, Bu) were estimated using quantum chemical computational methods. The magnetic properties of the considered chain polymeric complexes can be described within the framework of the model of isolated exchange clusters. Experimental data on the structural dynamics of chains polymeric with “head-to-tail” (R = Me) and “head-to-head” (R = Et, Pr, Bu) motifs are discussed in the context of the concept of gradual phase transitions. Based on the analysis performed, a hypothesis of microscopic mechanisms of magnetic transitions in crystals of this type of compounds was proposed.
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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1605–1613, August, 2009.
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Zueva, E.M., Ryabykh, E.R. & Kuznetsov, A.M. Microscopic mechanisms of magnetic transitions in chain polymeric copper(II) complexes with nitronyl nitroxide radicals. Russ Chem Bull 58, 1654–1662 (2009). https://doi.org/10.1007/s11172-009-0228-7
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DOI: https://doi.org/10.1007/s11172-009-0228-7