Synthesis, crystal structures and density functional theory study of dimeric copper(II) complexes of a tridentate Schiff-base ligand

被引：13

作者：

Li, Rongqing ^{[1
]}

Zhao, Pusu ^{[1
]}

Zhu, Yulan ^{[1
]}

Zhang, Weiguang ^{[1
]}

Wang, Hongyan ^{[1
]}

机构：

[1] Huaiyin Teachers Coll, Dept Chem, Jiangsu Key Lab Chem Low Dimens Mat, Huaian 223300, Jiangsu Prov, Peoples R China

来源：

INORGANICA CHIMICA ACTA | 2009年 / 362卷 / 11期

基金：

中国国家自然科学基金;

关键词：

X-ray crystal structures; Dicopper(II) complexes; Density functional theory; Electronic absorption spectra; MAGNETIC-PROPERTIES; SPECTROSCOPIC PROPERTIES; DINUCLEAR COMPLEXES; 4,4'-BIPYRIDINE; ARRANGEMENT; MONONUCLEAR;

D O I：

10.1016/j.ica.2009.05.067

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Oxalate- or 4,4'-bipyridine-bridged dimeric copper(II) complexes, [Cu(2)L(2)(mu-ox)] ( 1) and [Cu(2)L(2)(mu-bipy)] (BF(4))(2) (2) [ where ox = oxalate, bipy = 4,4'-bipyridine, HL = N-(1H-pyrrol-2-ylmethylene)-2-pyridine-ethanamine, L = HL-H(+)], have been synthesised and characterised by elemental analysis, IR, UV-Vis and single crystal X-ray diffraction. Crystal structure determinations carried out on 1 and 2 reveal that 1 is an oxalate-bridged centrosymmetrical square pyramidal dimeric copper(II) complex while 2 is a 4,4'-bipyridine-bridged non-centrosymmetric square planar dinuclear copper(II) complex. Comparison of the optimised geometries with the corresponding crystal structures suggests that the B3LYP/LANL2DZ level can reproduce the structures of 1 and 2 on the whole. The electronic spectra of 1 and 2 predicted by B3LYP/LANL2DZ method show some blue shifts compared with their experimental data. Thermal analysis carried out on 1 shows that there is only one exothermal peak at about 260 degrees C and the residue is presumably Cu(2)O(4)N(6). (C) 2009 Elsevier B. V. All rights reserved.

引用

页码：4081 / 4086

页数：6

共 31 条

[1] THE SYNTHESES, PROPERTIES AND CRYSTAL AND MOLECULAR-STRUCTURES OF THE COPPER(II) AND NICKEL(II) COMPLEXES OF THE NON-SYMMETRIC SCHIFF-BASES, DERIVED FROM 1,2-DIAMINOETHANE, PENTANE-2,4-DIONE AND 2-PYROLLECARBOXALDEHYDE [J].