This article presents a series of six mononuclear Co(II)complexes 1-6 featuring ligands derived from a hexadentate Schiff base family,originating from the condensation of(2-formylphenoxy)acetic acid with various diami...This article presents a series of six mononuclear Co(II)complexes 1-6 featuring ligands derived from a hexadentate Schiff base family,originating from the condensation of(2-formylphenoxy)acetic acid with various diamines.Notably,these complexes uniquely prefer a trigonal prism geometry,presenting a novel approach to synthesizing complexes with this distinctive shape.The compounds were characterized by elemental analysis,FT-IR spectroscopy,and single-crystal and powder XRD techniques.Furthermore,the magnetism was investigated by DC and AC magnetic measurements and also complemented by X-band EPR spectroscopy.The results reveal that the prepared complexes behave as field-induced single-molecule magnets,characterized by a substantial negative axial zero-field splitting D-parameter and spin reversal energetic barrier U_(eff) reaching values up to 72 K.The theoretical methods based on CASSCF/NEVPT2 calculations were applied to rationalize their magnetic properties.Moreover,these complexes hold promising potential for further functionalization,offering opportunities to enhance their properties,particularly towards developing zero-field single-molecule magnets as evidenced by the slow relaxation of magnetization in zero static magnetic field observed for the zinc-diluted complex 1Zn.展开更多
基金financial support from the PalackýUniversity Olomouc project IGA_PrF_2022_006E.Č.was supported by the Slovak Research and Development Agency,contract no.APVV-22-0172 and APVV-18-0197。
文摘This article presents a series of six mononuclear Co(II)complexes 1-6 featuring ligands derived from a hexadentate Schiff base family,originating from the condensation of(2-formylphenoxy)acetic acid with various diamines.Notably,these complexes uniquely prefer a trigonal prism geometry,presenting a novel approach to synthesizing complexes with this distinctive shape.The compounds were characterized by elemental analysis,FT-IR spectroscopy,and single-crystal and powder XRD techniques.Furthermore,the magnetism was investigated by DC and AC magnetic measurements and also complemented by X-band EPR spectroscopy.The results reveal that the prepared complexes behave as field-induced single-molecule magnets,characterized by a substantial negative axial zero-field splitting D-parameter and spin reversal energetic barrier U_(eff) reaching values up to 72 K.The theoretical methods based on CASSCF/NEVPT2 calculations were applied to rationalize their magnetic properties.Moreover,these complexes hold promising potential for further functionalization,offering opportunities to enhance their properties,particularly towards developing zero-field single-molecule magnets as evidenced by the slow relaxation of magnetization in zero static magnetic field observed for the zinc-diluted complex 1Zn.
