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Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation
dc.creator | Darmanović, Darinka | |
dc.creator | Radanović, Dušanka | |
dc.creator | Jevtović, Mima | |
dc.creator | Turel, Iztok | |
dc.creator | Pevec, Andrej | |
dc.creator | Milčić, Miloš | |
dc.creator | Gruden, Maja | |
dc.creator | Zlatar, Matija | |
dc.creator | Đorđević, Nataša G. | |
dc.creator | Anđelković, Katarina | |
dc.creator | Čobeljić, Božidar | |
dc.date.accessioned | 2022-06-14T12:28:27Z | |
dc.date.available | 2024-06-12 | |
dc.date.issued | 2022 | |
dc.identifier.issn | 0022-2860 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/5109 | |
dc.description.abstract | Two 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.publisher | Elsevier | en |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200168/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200023/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200288/RS// | |
dc.relation | info:eu-repo/grantAgreement/ScienceFundRS/Ideje/7750288/RS// | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/5110 | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/5111 | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/5112 | |
dc.rights | embargoedAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
dc.source | Journal of Molecular Structure | en |
dc.subject | Co(III) complexes | |
dc.subject | Co(III) | |
dc.subject | Hydrazone | |
dc.subject | X-ray crystallography | |
dc.subject | DFT | |
dc.subject | Computational chemistry | |
dc.subject | Coordination chemistry | |
dc.subject | tridentate ligands | |
dc.subject | 2-acetylpyridine | |
dc.subject | Girard's P reagent | |
dc.subject | octahedral | |
dc.subject | monokis | |
dc.title | Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation | en |
dc.type | article | en |
dc.rights.license | BY-NC-ND | |
dc.citation.volume | 1266 | |
dc.citation.spage | 133509 | |
dc.citation.rank | M22~ | |
dc.description.other | This 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.other | Supplementary material: [https://cer.ihtm.bg.ac.rs/handle/123456789/5112] | |
dc.description.other | Crystallographic data (CCDC 2168741): [https://cer.ihtm.bg.ac.rs/handle/123456789/5110] | |
dc.description.other | Crystallographic data (CCDC 2168742): [https://cer.ihtm.bg.ac.rs/handle/123456789/5111] | |
dc.description.other | Published version: [https://cer.ihtm.bg.ac.rs/handle/123456789/5113] | |
dc.identifier.doi | 10.1016/j.molstruc.2022.133509 | |
dc.identifier.wos | 00081467150000 | |
dc.type.version | acceptedVersion |
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Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes -
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