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dc.creatorDarmanović, Darinka
dc.creatorRadanović, Dušanka
dc.creatorJevtović, Mima
dc.creatorTurel, Iztok
dc.creatorPevec, Andrej
dc.creatorMilčić, Miloš
dc.creatorGruden, Maja
dc.creatorZlatar, Matija
dc.creatorĐorđević, Nataša G.
dc.creatorAnđelković, Katarina
dc.creatorČobeljić, Božidar
dc.date.accessioned2022-06-14T12:28:27Z
dc.date.available2024-06-12
dc.date.issued2022
dc.identifier.issn0022-2860
dc.identifier.urihttps://cer.ihtm.bg.ac.rs/handle/123456789/5109
dc.description.abstractTwo Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL1 ligand, [Co(L1)2]BF4⋅H2O (1), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL2Cl, [Co(L2)(N3)3] (2), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.
dc.publisherElsevieren
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200168/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200023/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200288/RS//
dc.relationinfo:eu-repo/grantAgreement/ScienceFundRS/Ideje/7750288/RS//
dc.relation.isreferencedbyhttps://cer.ihtm.bg.ac.rs/handle/123456789/5110
dc.relation.isreferencedbyhttps://cer.ihtm.bg.ac.rs/handle/123456789/5111
dc.relation.isreferencedbyhttps://cer.ihtm.bg.ac.rs/handle/123456789/5112
dc.rightsembargoedAccess
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.sourceJournal of Molecular Structureen
dc.subjectCo(III) complexes
dc.subjectCo(III)
dc.subjectHydrazone
dc.subjectX-ray crystallography
dc.subjectDFT
dc.subjectComputational chemistry
dc.subjectCoordination chemistry
dc.subjecttridentate ligands
dc.subject2-acetylpyridine
dc.subjectGirard's P reagent
dc.subjectoctahedral
dc.subjectmonokis
dc.titleCoordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculationen
dc.typearticleen
dc.rights.licenseBY-NC-ND
dc.citation.volume1266
dc.citation.spage133509
dc.citation.rankM22~
dc.description.otherThis is an accepted version of the manuscript: Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N., Anđelković, K.,& Čobeljić, B.. (2022) "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation," Journal of Molecular Structure Elsevier., 133509. doi: [https://doi.org/10.1016/j.molstruc.2022.133509]
dc.description.otherSupplementary material: [https://cer.ihtm.bg.ac.rs/handle/123456789/5112]
dc.description.otherCrystallographic data (CCDC 2168741): [https://cer.ihtm.bg.ac.rs/handle/123456789/5110]
dc.description.otherCrystallographic data (CCDC 2168742): [https://cer.ihtm.bg.ac.rs/handle/123456789/5111]
dc.description.otherPublished version: [https://cer.ihtm.bg.ac.rs/handle/123456789/5113]
dc.identifier.doi10.1016/j.molstruc.2022.133509
dc.identifier.wos00081467150000
dc.type.versionacceptedVersion


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