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

被引：9

作者：

Matelkova, Kristina ^{[1
]}

Boca, Roman ^{[1
,2
]}

Dlhan, Lubor ^{[1
]}

Herchel, Radovan ^{[3
]}

Moncol, Jan ^{[1
]}

Svoboda, Ingrid ^{[4
]}

Maslejova, Anna ^{[1
]}

机构：

[1] Slovak Univ Technol Bratislava, FCHPT, Inst Inorgan Chem, Bratislava 81237, Slovakia

[2] Univ SS Cyril & Methodius, Dept Chem, FPV, Trnava 91701, Slovakia

[3] Palacky Univ, Dept Inorgan Chem, Fac Sci, Olomouc 77146, Czech Republic

[4] Tech Univ Darmstadt, Mat Sci, D-64287 Darmstadt, Germany

来源：

POLYHEDRON | 2015年 / 95卷

关键词：

Formato-nickel(II) complexes; Crystal structures; Benzimidazole; Tren-complexes; Magnetism; EXCHANGE COUPLING-CONSTANTS; STATE PERTURBATION-THEORY; ZETA VALENCE QUALITY; GAUSSIAN-BASIS SETS; NICKEL(II) COMPLEXES; CRYSTAL-STRUCTURE; SCHIFF-BASE; MAGNETOSTRUCTURAL CORRELATIONS; HARTREE-FOCK; ATOMS LI;

D O I：

10.1016/j.poly.2015.04.010

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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.

引用

页码：45 / 53

页数：9

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