Diversities in the chelation of aroylhydrazones towards cobalt(II) salts: Synthesis, spectral characterization, crystal structure and some theoretical studies

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dc.authoridSERDAROGLU, Goncagul/0000-0001-7649-9168
dc.authoridKurup, M R Prathapachandra/0000-0002-9434-890X
dc.contributor.authorMangalam, Neema Ani
dc.contributor.authorKurup, M. R. Prathapachandra
dc.contributor.authorSuresh, Eringathodi
dc.contributor.authorKaya, Savas
dc.contributor.authorSerdaro, Goncagul
dc.date.accessioned2024-10-26T18:09:55Z
dc.date.available2024-10-26T18:09:55Z
dc.date.issued2021
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractFive cobalt complexes synthesized from two aroylhydrazones were characterized by elemental analyses, thermogravimetric analysis, molar conductivity, magnetic susceptibility measurements, IR and electronic spectra. Single crystal X-ray structure of one of the complex is also reported and it got crystallized in triclinic space group P (1) over bar and the crystal structure shows a distorted octahedral geometry around the metal center. Spectral data reveal that both the aroylhydrazones are tridentate and coordinate through the azomethine nitrogen, hydrazonic oxygen, and pyridyl nitrogen. Magnetic susceptibility measurements confirm the paramagnetic nature of the Co(II) complexes and one of the complex was found to be diamagnetic in nature. Additionally, HF/6-311G(d,p)/LANL2DZ calculations were performed to predict the possible intramolecular interactions contributing to the lowering of the stabilization energy. Accordingly, pi -> pi* transitions were found to be responsible for the stabilization energy for the ligands and their cobalt complexes. To describe and discuss the chemical reactivity and stability of synthesized complexes, quantum chemical parameters like frontier orbital energies, hardness, softness, energy gap, electronegativity, chemical potential, electrophilicity, polarizability and dipole moment were calculated. Also, the main electronic structure principles such as maximum hardness, minimum polarizability, and minimum electrophilicity principles were considered to evaluate the stability of the complexes. (C) 2021 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.molstruc.2021.129978
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85100602618
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.129978
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30344
dc.identifier.volume1232
dc.identifier.wosWOS:000632855300006
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAroylhydrazone
dc.subjectDi-2-pyridyl ketone
dc.subjectCrystal structure
dc.subjectCobalt complex
dc.subjectFrontier orbital energies
dc.subjectMinimum polarizability
dc.titleDiversities in the chelation of aroylhydrazones towards cobalt(II) salts: Synthesis, spectral characterization, crystal structure and some theoretical studies
dc.typeArticle

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