A Crystallographic, Spectroscopic, Thermal, and DFT Investigation of Mixed Ligand Cu(II) Complexes of 2-benzoylbenzoate

被引：5
|
作者：
Sema, Caglar [1 ]
Serkan, Demir [2 ]
机构：
[1] Erzincan Univ, Fac Arts & Sci, Dept Chem, TR-24100 Erzincan, Turkey
[2] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Chem, Atakum, Samsun, Turkey
来源：
SYNTHESIS AND REACTIVITY IN INORGANIC METAL-ORGANIC AND NANO-METAL CHEMISTRY | 2012年 / 42卷 / 10期
关键词：
2-benzoylbenzoate; copper(II) complex; crystal structure; DFT; X3LYP; CRYSTAL-STRUCTURE; COPPER(II) COMPLEXES; BONDING PROPERTIES; DESIGN; ACID;
D O I：
10.1080/15533174.2012.684263
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Two mixed ligand complexes of copper(II)-2-benzoylbenzoate (bba) with pyridazine and 4-picoline, namely bis(2-benzoylben- zoate)di(pyridazine)copper(II) 1 and bis(2-benzoylbenzoate)bis(4-picoline)copper(II) 2, have been synthesized and characterized by X-ray crystallography. Complexes 1 and 2 crystallize in the monoclinic P21/c space groups. The calculated frequency shifts have shown that the participation of carboxylate groups in coordination to the metal centers in monodentate fashion (?(OCO) > 200 cm-1). The structural features of the complexes have been further studied by DFT/X3LYP extended hybrid functional. The thermal behavior of the complexes was studied by means of simultaneous thermogravimetry, differental thermogravimetry, and differential thermal analysis methods in a static air atmosphere.
引用
收藏
页码：1449 / 1458
页数：10
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