The magnetic properties of Cu2+, Cr3+, and Mn2+ ions in the newly reported 12- and 15-membered macrocyclic complexes are analysed by a theoretical approach. The calculated magnetic moment and magnetic anisotropy for various situations, especially for Cu(II) ion, suggest that the magnetic properties may lead to a better interpretation about the geometry. It is also suggested that the zero-field splitting Hamiltonian may be used for magnetic properties of some metal ions, which have orbital singlet ground term in these complexes.
Volume 96, 2022
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