| Summary: | The two mononuclear complexes of the formula [Dy(tta)<sub>3</sub>(<b>L</b>)] (<b>1</b>) and [Dy(hfac)<sub>3</sub>(<b>L</b>)] (<b>2</b>) (where tta<sup>-</sup> = 2-thenoytrifluoroacetylacetonate and hfac<sup>-</sup> = 1,1,1,5,5,5-hexafluoroacetylacetonate) were obtained from the coordination reaction of the Dy(tta)<sub>3</sub>·2H<sub>2</sub>O or Dy(hfac)<sub>3</sub>·2H<sub>2</sub>O units with the 1,10-phenantroline-5,6-dione ligand (<b>L</b>). Their structures have been determined by X-ray diffraction studies on single crystals, and they revealed a supramolecular assembly of tetramers through σ-π interactions. Both complexes displayed a Single-Molecule Magnet (SMM) behavior without an external applied magnetic field. Magnetic relaxation happened through Orbach, Raman and Quantum Tunneling of the Magnetization (QTM). Wavefunction theory calculations were realized to rationalize the magnetic properties.
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