Synthesis and characterization of a novel coordination compound based on 2, 6-dimethylpiperazine

Metamagnetism and canted antiferromagnetic ordering in two monomeric CoII complexes with 1-(2-pyrimidyl)piperazine. Hirshfeld surface analysis and theoretical studies

“…The Hirshfeld surface and void analysis of both compounds show the presence of intermolecular interactions as p-p interactions, as also observed in other related complexes. 52,53 The study of the electrostatic potential by charge distribution around the molecules shows an important electronegative surface in both metal complexes, further conrming the presence of interactions in the crystal phase. The molecular orbital analysis reveals that the HOMO is highly located in the thiocyanate groups and that both cobalt complexes are almost similar, as conrmed by the magnetic measurements.…”