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

页码：1449 / 1458

页数：10

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