Net Toroidal Magnetic Moment in the Ground State of a Dy6-Triethanolamine Ring

A toroidal magnetic moment in the absence of conventional total magnetic moment is observed in a Dy (6) 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.