American Chemical Society, Journal of the American Chemical Society, 45(134), p. 18554-18557, 2012
DOI: 10.1021/ja309211d
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A toroidal magnetic moment in the absence of conventional total magnetic moment is observed in a {Dy6} ring. The reason for the net toroidal arrangement of the local magnetic moments is the high symmetry of the complex in combination with strong intra-molecular dipolar interactions between Dy ions. The description of single-ion and inter-ion anisotropic magnetic interactions is achieved here for the first time fully ab initio, i.e., without use of phenomenological parameters.