† Footnotes relating to the title and/or authors should appear here. Electronic Supplementary Information (ESI) available: Optimized coordinates for [trans-Cu(μ-OH)(μ-dmpz)]6. See [trans-Cu(μ-OH)(μ-dmpz)]6 (1), exhibits six Cu(II) centers effectively coupled through an ligand mediated mechanism leading to a diamagnetic ground state for a wide temperature interval. Here we investigate further magneto-structural correlations standing on the possible free electron precession along such a copper-based ring-like nanocoil mediated by the bridging ligands. We find that in 1, the mediated antiferromagnetic coupling leads to the characteristic that reminisce the aromatic ring behavior through evaluation of both induced currents and shielding cones from relativistic density functional theory level. According to our calculations of gauge including magnetically induced current densities and the induced magnetic field, a sizable ring current strength susceptibility is obtained for the cyclic Cu-N-N-Cu and Cu-O-Cu pathways allowing a magnetic exchange between the copper centers. Our study suggests that [Cu6(dmPz)6(OH)6] consisting of an aromatic ring structure displays aromaticity and superexchange along the Cu-O-Cu and Cu-N-N-Cu backbones, which accounts for the 80 % and 20% of the overall ring current strength susceptibility, respectively. This unravels the presence of particular aromatic rings characteristics in coordination compounds without a direct metal-metal bond, where several formally paramagnetic centers are antiferromagnetically-coupled through supporting ligands. We envisage that our findings can be extended to other examples depicting ligand-mediated interaction between metal centers. This journal is
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