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

Sema C., Serkan D.

SYNTHESIS AND REACTIVITY IN INORGANIC METAL-ORGANIC AND NANO-METAL CHEMISTRY, cilt.42, sa.10, ss.1449-1458, 2012 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 42 Sayı: 10
  • Basım Tarihi: 2012
  • Doi Numarası: 10.1080/15533174.2012.684263
  • Dergi Adı: SYNTHESIS AND REACTIVITY IN INORGANIC METAL-ORGANIC AND NANO-METAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1449-1458
  • Anahtar Kelimeler: 2-benzoylbenzoate, copper(II) complex, crystal structure, DFT, X3LYP, CRYSTAL-STRUCTURE, COPPER(II) COMPLEXES, BONDING PROPERTIES, DESIGN, ACID
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

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.