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Dinuclear and polymeric (μ-formato)nickel(II) complexes: Synthesis, structure, spectral and magnetic properties

Matelková, Kristína and Boča, Roman and Dlháň, Ľubor and Herchel, Radovan and Moncol, Ján and Svoboda, Ingrid and Mašlejová, Anna (2015):
Dinuclear and polymeric (μ-formato)nickel(II) complexes: Synthesis, structure, spectral and magnetic properties.
In: Polyhedron, PERGAMON-ELSEVIER SCIENCE LTD, pp. 45-53, 95, ISSN 02775387,
[Online-Edition: http://dx.doi.org/10.1016/j.poly.2015.04.010],
[Article]

Abstract

Two (mu-formato)nickel(II) complexes [Ni-2(HCOO)(bz)(8)(H2O)(2)](HCOO)(3)center dot 4H(2)O (1) and [Ni(tren)(HCOO)] CIO4 center dot 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. (c) 2015 Elsevier Ltd. All rights reserved.

Item Type: Article
Erschienen: 2015
Creators: Matelková, Kristína and Boča, Roman and Dlháň, Ľubor and Herchel, Radovan and Moncol, Ján and Svoboda, Ingrid and Mašlejová, Anna
Title: Dinuclear and polymeric (μ-formato)nickel(II) complexes: Synthesis, structure, spectral and magnetic properties
Language: English
Abstract:

Two (mu-formato)nickel(II) complexes [Ni-2(HCOO)(bz)(8)(H2O)(2)](HCOO)(3)center dot 4H(2)O (1) and [Ni(tren)(HCOO)] CIO4 center dot 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. (c) 2015 Elsevier Ltd. All rights reserved.

Journal or Publication Title: Polyhedron
Volume: 95
Publisher: PERGAMON-ELSEVIER SCIENCE LTD
Uncontrolled Keywords: Formato-nickel(II) complexes, Crystal structures, Benzimidazole, Tren-complexes, Magnetism
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Structure Research
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 19 Jan 2016 12:16
Official URL: http://dx.doi.org/10.1016/j.poly.2015.04.010
Identification Number: doi:10.1016/j.poly.2015.04.010
Funders: This work is supported by Slovak Grant Agency (VEGA 1/0522/14 and 1/0388/14) and Slovak Research and Development Agency (APVV-0014-11)., RH is grateful to CZ.1.05/2.1.00/03.0058.
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