One-Dimensional [Ni(O2CR)2(N-N)x] Polymers: Structural, Magnetic, and Density Functional Theory Studies

被引：4

作者：

Cortijo, Miguel ^{[1
]}

Herrero, Santiago ^{[1
]}

Jerez, Belen ^{[1
]}

Jimenez-Aparicio, Reyes ^{[1
]}

Perles, Josefina ^{[1
]}

Priego, Jose L. ^{[1
]}

Torroba, Javier ^{[1
]}

Tortajada, Jose ^{[2
]}

机构：

[1] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Inorgan, E-28040 Madrid, Spain

[2] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Fis, E-28040 Madrid, Spain

来源：

CHEMPLUSCHEM | 2014年 / 79卷 / 07期

关键词：

1D polymers; broken symmetry; density functional calculations; magnetic properties; nickel complexes; MIXED CHLORIDE/AMINE COMPLEXES; COMPACT EFFECTIVE POTENTIALS; IRON-SULFUR CLUSTERS; SINGLE-CHAIN MAGNET; EXPONENT BASIS-SETS; COORDINATION POLYMERS; CRYSTAL-STRUCTURE; NICKEL(II) COMPLEXES; ELECTRONIC-STRUCTURE; LIGAND;

D O I：

10.1002/cplu.201402005

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Five nickel complexes, [Ni-2(3,4,5-tmb)(4)(4,4'-bpy)] (1), [Ni-2(2-ntc)(4)(4,4'-bpy)] (2), [Ni(9-atc)(2)(4,4'-bpy)] (3), [Ni(3,4,5-tmb)(2)(t-bpee)] (4), and [Ni-2(2-ntc)(4)(t-bpee)(2)] (5) (3,4,5-tmb=3,4,5-trimethoxybenzoate; 2-ntc=2-naphthalenecarboxylate; 9-atc=9-anthracenecarboxylate; 4,4'-bpy=4,4'-bipyridine; t-bpee=trans1,2-bis(4-pyridyl)ethylene), are prepared. They are characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, and single-crystal and powder X-ray diffraction. 1 and 2 form linear chains of paddlewheel units joined by 4,4'-bpy ligands; 3 and 4 display zigzag chains formed by cis-bis(chelate) Ni(O2CR)2 units joined by 4,4'-bpy and t-bpee, respectively; and the structure of 5 consists of double chains. The magnetic behavior of the compounds is also studied, and DFT calculations using the broken-symmetry approximation are performed to gain a better understanding of the strong antiferromagnetism found in 1.

引用

页码：951 / 961

页数：11

共 75 条

[1] SYNTHESIS, X-RAY CRYSTAL-STRUCTURE, AND CHEMICAL AND PHYSICAL-PROPERTIES OF THE NEW LINEAR-CHAIN MIXED-VALENCE COMPLEX (MU-IODO)TETRAKIS(DITHIOACETATO)DINICKEL, NI2(CH3CS2)4I, AND X-RAY CRYSTAL-STRUCTURE OF THE PRECURSOR TETRAKIS(DITHIOACETATO)DINICKEL(II), NI2(CH3CS2)4 [J].

BELLITTO, C ;

DESSY, G ;

FARES, V .

INORGANIC CHEMISTRY, 1985, 24 (18) :2815-2820

[2] Co(II)-Co(II) paddlewheel complex with a redox-active ligand derived from TTF [J].

Benbellat, Noura ;

Gavrilenko, Konstantin S. ;

Le Gal, Yann ;

Cador, Olivier ;

Golhen, Stephane ;

Gouasmia, Abdelkrim ;

Fabre, Jean-Marc ;

Ouahab, Lahcene .

INORGANIC CHEMISTRY, 2006, 45 (26) :10440-10442

[3] An antiferromagnetically coupled dimeric Ni(II) complex anion and its counter cationic monomeric Ni(II) complex, and some other mononuclear transition metal compounds using some neutral ligands [J].

Biswas, Bhaskar ;

Pal, Abhijit ;

Krishna, G. Rama ;

Reddy, C. Malla ;

Tuna, Floriana ;

Ghosh, Rajarshi .

POLYHEDRON, 2011, 30 (12) :2032-2037

[4] A Rare Phenoxido/Acetato/Azido Bridged Trinuclear and an Unprecedented Phenoxido/Azido Bridged One-Dimensional Polynuclear Nickel(II) Complexes: Synthesis, Crystal Structure, and Magnetic Properties with Theoretical Investigations on the Exchange Mechanism [J].

Biswas, Rituparna ;

Mukherjee, Sandip ;

Kar, Paramita ;

Ghosh, Ashutosh .

INORGANIC CHEMISTRY, 2012, 51 (15) :8150-8160

[5] Remarks on the proper use of the broken symmetry approach to magnetic coupling [J].

Caballol, R ;

Castell, O ;

Illas, F ;

Moreira, PR ;

Malrieu, JP .

JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (42) :7860-7866

[6] Solvothermal synthesis, crystal structure and magnetic properties of the one-dimensional coordination polymer Ni(DMBDIZ)(OOCMe)2 (DMBDIZ=2,6-dimethylbenzo[1,2-d:4,5-d′]diimidazole) [J].

Cai, CX ;

Tian, YQ ;

Ren, XM ;

Li, YZ ;

You, XZ .

TRANSITION METAL CHEMISTRY, 2003, 28 (03) :312-315

[7] Tridentate facial ligation of tris(pyridine-2-aldoximato)nickel(II) and tris(imidazole-2-aldoximato)nickel(II) to generate NiIIFeIIINiII, MnIIINiII, NiIINiII, and ZhIINiII and the electrooxidized MnIVNiII, NiIINiIII, and ZnIINiIII species:: A magnetostructural, electrochemical, and EPR spectroscopic study [J].

Chaudhuri, Phalguni ;

Weyhermuller, Thomas ;

Wagner, Rita ;

Khanra, Sumit ;

Biswas, Biplab ;

Bothe, Eberhard ;

Bill, Eckhard .

INORGANIC CHEMISTRY, 2007, 46 (21) :9003-9016

[8] ONE-DIMENSIONAL COORDINATION POLYMERS - APPLICATIONS TO MATERIAL SCIENCE [J].

CHEN, CT ;

SUSLICK, KS .

COORDINATION CHEMISTRY REVIEWS, 1993, 128 (1-2) :293-322

[9] Diversification of hydrothermal reaction products induced by naphthalene molecules [J].

Choi, EY ;

Kwon, YU .

INORGANIC CHEMISTRY, 2005, 44 (03) :538-545

[10] Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal-Organic Frameworks [J].

Cortijo, Miguel ;

Herrero, Santiago ;

Jimenez-Aparicio, Reyes ;

Perles, Josefina ;

Priego, Jose L. ;

Torroba, Javier .

CRYSTAL GROWTH & DESIGN, 2014, 14 (02) :716-722

← 1 2 3 4 5 6 7 8 →