Synthesis, solid-state structure, magnetic properties and Mössbauer spectral studies of {Fe[HC(3,5-Me2pz)3](H2O)3}(BF4)2

The reaction of Fe(BF4)2·6H2O and one equivalent of HC(3,5-Me2pz)3 in acetonitrile leads to the formation of {Fe[HC(3,5-Me2pz)3](H2O)3}(BF4)2. The solution phase 1H NMR spectrum is broad with chemical shifts ranging from 54 to −42 ppm, a range that is indicative of a paramagnetic high-spin complex. Magnetic moment measurements show that the complex is paramagnetic in the solid-state with μeff=4.89μB. The solid-state structure shows the N3FeO3 central core is a distorted octahedron with N–Fe–N angles averaging 84.4° and O–Fe–O angles averaging 90.0°. The average Fe–N distance is 2.18 Å and the average Fe–O bond distance is 2.12 Å. Mössbauer spectra, obtained at 78 and 295 K, clearly reveal that this complex is high-spin at these temperatures with hyperfine parameters typical of a pseudooctahedral iron(II) complex.