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

共 77 条

[11] Triple-bridged ferromagnetic nickel(II) complexes: A combined experimental and theoretical DFT study on stabilization and magnetic coupling [J].

Biswas, Rituparna ;

Diaz, Carmen ;

Bauza, Antonio ;

Barcelo-Oliver, Miquel ;

Frontera, Antonio ;

Ghosh, Ashutosh .

DALTON TRANSACTIONS, 2014, 43 (17) :6455-6467

[12] Three nickel(II) complexes derived from a tridentate NNO donor Schiff base ligand: Syntheses, crystal structures and magnetic properties [J].

Biswas, Rituparna ;

Diaz, Carmen ;

Ghosh, Ashutosh .

POLYHEDRON, 2013, 56 :172-179

[13] Ferromagnetism in a dinuclear nickel(II) complex containing triethylenetetramine and tricyanomethanide [J].

Boca, R ;

Gembicky, M ;

Herchel, R ;

Haase, W ;

Jäger, L ;

Wagner, C ;

Ehrenberg, H ;

Fuess, H .

INORGANIC CHEMISTRY, 2003, 42 (22) :6965-6967

[14] Versatile coordination mode of dicyanamide in nickel(II) complexes containing polyamines as blocking ligands [J].

Boca, R ;

Boca, M ;

Gembicky, M ;

Jäger, L ;

Wagner, C ;

Fuess, H .

POLYHEDRON, 2004, 23 (15) :2337-2348

[15] Thermal Decomposition Reactions as a Tool for the Synthesis of New Thermodynamic Metastable Modifications: Synthesis, Structures, and Properties of (Formato)nickel(II) Coordination Polymers Based on 4,4′-Bipyridine [J].

Boeckmann, Jan ;

Wriedt, Mario ;

Naether, Christian .

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2010, (12) :1820-1828

[16] Nickel(II) chain with alternating end-on/end-to-end single azido bridges:: A combined structural, magnetic, and theoretical study [J].

Bonnet, Marie-Laure ;

Aronica, Christophe ;

Chastanet, Guillaume ;

Pilet, Guillaume ;

Luneau, Dominique ;

Mathoniere, Corine ;

Clerac, Rodolphe ;

Robert, Vincent .

INORGANIC CHEMISTRY, 2008, 47 (03) :1127-1133

[17] SIR2011: a new package for crystal structure determination and refinement [J].

Burla, Maria Cristina ;

Caliandro, Rocco ;

Camalli, Mercedes ;

Carrozzini, Benedetta ;

Cascarano, Giovanni Luca ;

Giacovazzo, Carmelo ;

Mallamo, Mariarosaria ;

Mazzone, Annamaria ;

Polidori, Giampiero ;

Spagna, Riccardo .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 :357-361

[18] Synthesis, characterisation, crystal structures, and magnetic properties of one-dimensional oxalato-bridged metal(II) complexes with 3-hydroxypyridine and isoquinoline [J].

Castillo, O ;

Luque, A ;

Lloret, F ;

Román, P .

INORGANICA CHIMICA ACTA, 2001, 324 (1-2) :141-149

[19] Crystal structure, magnetic and spectroscopic properties of copper(II) formato dimethylformamide:: a new tetracarboxylato-bridged copper(II) dimer [J].

Cejudo, R ;

Alzuet, G ;

Borrás, J ;

Liu-González, M ;

Sanz-Ruiz, F .

POLYHEDRON, 2002, 21 (11) :1057-1061

[20]

Cornia A., 1999, ANGEW CHEM, V111, P1897

← 1 2 3 4 5 6 7 8 →