Halogen atom effect on the magnetic anisotropy of pseudotetrahedral Co(II) complexes with a quinoline ligand

The ligand field effect and magnetostructural correlations in the family of pseudotetrahedral complexes [Co(qu)2X2] (qu = quinoline and X = NCS−, Cl−, Br− and I−) were analyzed. Compound [Co(qu)2Br2], which was missing in this row, was synthesized and characterized by single crystal X-ray analysis, SQUID measurements and Vis-NIR spectroscopy. Ab initio quantum-chemical calculations of the magnetic anisotropy parameter D and g-tensor were performed for all compounds in the family.84