Electron magnetic resonance data on high-spin Mn(III; SÂ =Â 2) ions in porphyrinic and salen complexes modeled by microscopic spin Hamiltonian approach

Theoretical modeling of the dependence of the zero-field splitting parameters bkq (in Stevens notation) and Zeeman factors gi on the spin-orbit, spin-spin coupling constant, and ligand-field energy levels within the 5D multiplet was carried out for high-spin (S = 2) manganese (III) 3d4 ions in complex of tetraphenylporphyrinato Mn(III) chloride.87