Four and six-coordinated cobalt complexes based on thiosemicarbazone. Formation, experimental and theoretical characterization

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dc.authoridKaya, Busra/0000-0003-2706-172X
dc.contributor.authorKaya, Busra
dc.contributor.authorKarakurt, Tuncay
dc.contributor.authorSahin, Onur
dc.contributor.authorUlkuseven, Bahri
dc.date.accessioned2025-03-23T19:39:23Z
dc.date.available2025-03-23T19:39:23Z
dc.date.issued2022
dc.departmentSinop Üniversitesi
dc.description.abstractThe template reaction was performed between benzoylacetone-S-propylthiosemicarbazone and salicylaldehyde in the presence of Co(ClO4)(2) and a square planar cobalt(II) complex, [Co(L)] (Co1) where L is a dibasic thiosemicarbazidato ligand was isolated. It was aimed to synthesize the octahedral cobalt complexes by using the co-ligands, pyridine and 2-amino pyridine. An octahedral cobalt(III) complex, [Co(L)(py)(2)]ClO4 (Co2), with two axial-pyridine ligands was obtained. Reaction with 2-amino pyridine gave an unexpected cobalt(III) centered structure, [Co(L-1)]center dot H2O (Co3), where L-1 is a new sixdentate (N4O2) ligand that yielded by the addition of the amino group of pyridine to the L ligand. L-1 has tribasic thiosemicarbazidato structure that altered by the participation of an oxygen atom in addition to the amines. Experimental characterizations of three complexes have been completed using IR, NMR, UV-Vis, ESI-MS techniques and X-ray data. In order to better understand the intermolecular interactions of the structures, the Nonlinear Optical (NLO) properties and frontier orbitals (FMO) of the complexes were obtained using the Gaussian 09 program, DFT/B3LYP with 6-31 G (d, p) bas set for the C, N, O, H atoms and with LanL2DZ basic set for Co metal atom. (C) 2021 Elsevier B.V. All rights reserved.
dc.description.sponsorshipScientific Research Projects Co-ordination Unit of Istanbul University-Cerrahpasa [22167]
dc.description.sponsorshipThis work was supported by the Scientific Research Projects Co-ordination Unit of Istanbul University-Cerrahpasa (Project number: 22167) . The authors acknowledge to Scientific and Technological Research Application and Research Center, Sinop University, Turkey, for the use of the Bruker D8-QUEST diffractometer.
dc.identifier.doi10.1016/j.molstruc.2021.131783
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85118326463
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.131783
dc.identifier.urihttps://hdl.handle.net/11486/6335
dc.identifier.volume1250
dc.identifier.wosWOS:000718046100010
dc.identifier.wosqualityQ2
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.snmzKA_WOS_20250323
dc.subjectCobalt complexes
dc.subjectThiosemicarbazone
dc.subjectX-ray diffraction
dc.subjectDFT
dc.subjectNLO
dc.titleFour and six-coordinated cobalt complexes based on thiosemicarbazone. Formation, experimental and theoretical characterization
dc.typeArticle

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