Dinuclear and polymeric (μ-formato)nickel(II) complexes: Synthesis, structure, spectral and magnetic properties. (27th July 2015)

• Record Type: Journal Article
• Authors: Matelková, Kristína; Boča, Roman; Dlháň, Ľubor; Herchel, Radovan; Moncol, Ján; Svoboda, Ingrid; Mašlejová, Anna
• Is Part Of: Polyhedron. Volume 95(2015)
• Page Start: 45
• Page End: 53
• Publication Date: 2015-07-27
• Subjects: Formato-nickel(II) complexes -- Crystal structures -- Benzimidazole -- Tren-complexes -- Magnetism; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2015.04.010
• Languages: English
• ISSNs: 0277-5387

Abstract

Abstract : Graphical abstract: Two (μ-formato)nickel(II) complexes [Ni2 (HCOO)(bz)8 (H2 O)2 ](HCOO)3 ·4H2 O (1 ) and [Ni(tren)(HCOO)]ClO4 ·H2 O (2 ) were synthesized and magneto-structurally characterized. Abstract: Two (μ-formato)nickel(II) complexes [Ni2 (HCOO)(bz)8 (H2 O)2 ](HCOO)3 ·4H2 O (1 ) and [Ni(tren)(HCOO)]ClO4 ·H2 O (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 in1 and a polymeric cationic chain in2, 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 of1 and2, 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.