Publication in Inorganic Chemistry

Publication entitled „Structural, Magnetic, and Redox Diversity of First-Row Transition Metal Complexes of a Pyridine-Based Macrocycle: Well-Marked Trends Supported by Theoretical DFT Calculations“ was published in international ACS journal Inorganic Chemistry (Inorg. Chem. 54 (2015) 3352−3369, IF2013 = 4,794). In the publication, a new series of Mn(II), Fe(III), Co(II), Ni(II), Cu(II), and Zn(II) complexes with 15-membered pyridine-based macrocyclic ligand (15-pyN₃O₂) was studied/characterized. This work represents a first step in our growing interest in systematic investigation of heptacoordinate complexes with single-molecule magnet behavior (nanomagnets) with potential applications in information storage and quantum computing. Due to a large axial magnetic anisotropy found for Ni^II and Co^II complexes, these compounds could be further used as magnetic building blocks in the synthesis of single-chain magnets, ferro- or ferrimagnets applicable as magnetic sensors or in spintronics. All our obtained findings were accompanied by DFT calculations, which provided irreplaceable confirmation of our results and substantially helped us to explain them.