Magnetic Properties Of Mononuclear Co(II) Complexes With Polyhedral Carborane Ligands

J.M. OLIVA-ENRICH; O.B. OÑA; D.R. ALCOBA; G.E. MASSACCESI; L. LAIN; A. TORRE; J.I. MELO; J.E. PERALTA

La Coruña

Simposio; Second International Symposium Julio Palacios; 2018

Universidad de A Coruña

During the last 20 years, the molecular magnets have exhaustively been studied due to their interesting properties in information storage, quantum computing and spintronics. Recently, they have been used as magnetic resonance imaging contrast agents, arousing a considerable interest in biomedicine. To date, considerable efforts have been dedicated to design complexes with high effective energy barriers, by optimizing ligands and central metallic ions. In this work, we study magnetic properties in a series of mononuclear Co(II) complexes possessing a distorted tetrahedral geometry. In these complexes, the central ion is doubly chelated by carbonare ligands arising from thiolated and hydroxylated positional isomers of 1,2-dicarba-closo-hexaborane and 1,2-dicarba-closo-dodecaborane. The quantum-mechanical calculations performed show that these complexes present significant values for the axial and rhombic zero-field splitting anisotropy parameters and for the g-tensor components describing the Zeeman effect contribution. These results, along with an analysis of the temperature dependence of the magnetic susceptibility and molar magnetization for these complexes when subject to an external magnetic field, show that the mononuclear Co(II) complexes with carborane ligands are appropriate candidates to work as molecular magnets, suggesting their experimental synthesis.