2026-10-19T01:08:30Zhttps://ebyu-rdlopen.rawdatalibrary.net/oai/requestoai:ebyu-rdlopen.rawdatalibrary.net:ebyu/156062026-10-18T20:39:15Zopenairedrivercom_ebyu_10000col_ebyu_10001A crystallographic, spectroscopic, thermal, and DFT investigation of mixed ligand Cu(II) complexes of 2-benzoylbenzoateSema, CaglarSerkan, Demir2-benzoylbenzoateCopper(II) complexCrystal structureDFTX3LYPTwo mixed ligand complexes of copper(II)-2-benzoylbenzoate (bba) with pyridazine and 4-picoline, namely bis(2-benzoylbenzoate) 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 themetal centers in monodentate fashion (δ(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. Copyright © Taylor & Francis Group, LLC.Bellwether Publishing, Ltd.2012Articlehttps://rdlopen.rawdatalibrary.net/r/ebyu/15606https://doi.org/10.1080/15533174.2012.6842631553-3174enSynthesis and Reactivity in Inorganic, Metal-Organic and Nano-Metal Chemistryinfo:eu-repo/semantics/openAccessinfo:eu-repo/semantics/articlehttps://ebyu-rdlopen.rawdatalibrary.net/tr/items/ebyu/15606