Add time:09/09/2019         Source:sciencedirect.com

Two (μ-formato)nickel(II) complexes [Ni2(HCOO)(bz)8(H2O)2](HCOO)3·4H2O (1) and [Ni(tren)(HCOO)]ClO4·H2O (2) were synthesized and characterized by spectroscopic methods. The structure of complexes has been determined by X-ray crystallography. The formato ligand bridges the Ni(II) central atoms forming a dinuclear cation in 1 and a polymeric cationic chain in 2, respectively. The coordination environment of Ni(II) atom is nearly octahedral. Based upon the magnetic data, these two compounds display an exchange interaction of the antiferromagnetic nature along with the zero-field splitting. The results from magnetic analysis of 1 and 2, namely the isotropic exchange constants and the zero-field splitting parameters were further confirmed and studied by DFT method using at B3LYP/def2-TZVP and by CASSCF/NEVPT2, respectively.

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