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

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dc.authorscopusid7005505517
dc.authorscopusid56450290500
dc.contributor.authorCaglar, S.
dc.contributor.authorDemir, D.
dc.date.accessioned2020-06-21T14:28:19Z
dc.date.available2020-06-21T14:28:19Z
dc.date.issued2012
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Caglar] Sema, Department of Chemistry, Erzincan Binali Yıldırım Üniversitesi, Erzincan, Turkey; [Demir] Serkan, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkeyen_US
dc.description.abstractTwo 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 P2<inf>1</inf>/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.en_US
dc.identifier.doi10.1080/15533174.2012.684263
dc.identifier.endpage1458en_US
dc.identifier.issn1553-3174
dc.identifier.issue10en_US
dc.identifier.scopus2-s2.0-84871205578
dc.identifier.startpage1449en_US
dc.identifier.urihttps://doi.org/10.1080/15533174.2012.684263
dc.identifier.urihttps://hdl.handle.net/20.500.12712/16712
dc.identifier.volume42en_US
dc.identifier.wosWOS:000313950100019
dc.language.isoenen_US
dc.publisherBellwether Publishing, Ltd.en_US
dc.relation.ispartofSynthesis and Reactivity in Inorganic, Metal-Organic and Nano-Metal Chemistryen_US
dc.relation.journalSynthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject2-Benzoylbenzoateen_US
dc.subjectCopper(II) Complexen_US
dc.subjectCrystal Structureen_US
dc.subjectDFTen_US
dc.subjectX3LYPen_US
dc.titleA Crystallographic, Spectroscopic, Thermal, and DFT Investigation of Mixed Ligand Cu(II) Complexes of 2-Benzoylbenzoateen_US
dc.typeArticleen_US
dspace.entity.typePublication

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