Metal-ligand ferromagnetic exchange interactions in heteroligand bis-o-semiquinonato nickel complexes with 2,2′-dipyridine and 1,10-phenanthroline

Novel bis-o-semiquinonato nickel complexes (2,2'-bpy)Ni(3,6-DBSQ)(2) (1) and (1,10-phen)Ni(3,6-DBSQ)(2) (2) was synthesized (2,2'-bpy - 2,2'-dipyridine; 1,10-phen - 1,10-phenanthroline; 3,6-DBSQ-anion-radical of 3,6-tert-butyl-o-benzoquinone). Single crystal X-ray diffraction study indicated distorted octahedral environment of nickel atom in both complexes. Variable temperature magnetic susceptibility measurement detected predomination of ferromagnetic exchange interactions between high spin nickel ion and anion-radicals of o-semiquinones. DFT calculations are in a good agreement with experimental structural and magnetic results. (C) 2018 Elsevier Ltd. All rights reserved.