Publication in Inorganic Chemistry

The publication entitled „Experimental and Theoretical Investigations of Magnetic Exchange Pathways in Structurally Diverse Iron(III) Schiff-Base Complexes“ (authors: R. Herchel, I. Nemec, M. Machata and Z. Trávníček) was published in an ACS journal Inorganic Chemistry (IF₂₀₁₄ = 4.762). The importance and application of DFT calculations of the isotropic exchange parameters for appropriate postulation of the spin Hamiltonian and subsequent analysis of experimental magnetic data was demonstrated on a series of mononuclear and polynuclear Fe(III) coordination compounds, in which both non-covalent contacts and covalent bonds mediated the magnetic exchange.