Single crystal ESR study on [Mn3(O)(O2CC6F5)6(py)3]·CH2Cl2

The Mn3 cluster with fluorinated benzoate ligands Mn3(O)(O2CC6F5)6(py)3·CH2Cl2 has been synthesized. Magnetic properties of this cluster have been analyzed based on the single crystal X-ray structure analysis and single crystal ESR spectra. The crystal belongs to Pmcn space group and the Mn3(O) plane is located in the bc-plane. Rotational-angle dependent ESR spectra were observed by use of a huge single crystal with approximate dimensions 2.7×2.3×1.1 mm3. The analysis of the ESR spectra has clearly shown that the ground state S value is 3/2 based on the localized valence-state model in addition to the determination of the principal direction of the anisotropic interaction (a-axis). The result suggests that anti-ferromagnetic interactions between MnIII and MnII ions are predominant.