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dc.creatorFilipovic, Nenad R.
dc.creatorElshaflu, Hana
dc.creatorGrubišić, Sonja
dc.creatorJovanović, Ljiljana S.
dc.creatorRodić, Marko V.
dc.creatorNovaković, Irena
dc.creatorMalešević, Aleksandar S.
dc.creatorĐorđević, Ivana
dc.creatorLi, Haidong
dc.creatorŠojić, Nešo
dc.creatorMarinković, Aleksandar D.
dc.creatorTodorović, Tamara
dc.date.accessioned2019-01-30T17:55:17Z
dc.date.available2019-01-30T17:55:17Z
dc.date.issued2017
dc.identifier.issn1477-9226
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/2188
dc.description.abstractThe first Co(III) complexes with (1,3-selenazol-2-yl)hydrazones as an unexplored class of ligands were prepared and characterized by NMR spectroscopy and X-ray diffraction analysis. The novel ligands act as NNN tridentate chelators forming octahedral Co(III) complexes. The impact of structural changes on ligands' periphery as well as that of isosteric replacement of sulphur with selenium on the electrochemical and electronic absorption features of complexes are explored. To support the experimental data, density functional theory (DFT) calculations were also conducted. Theoretical NMR chemical shifts, the relative energies and natural bond orbital (NBO) analysis are calculated within the DFT approach, while the singlet excited state energies and HOMO-LUMO energy gap were calculated with time-dependent density functional theory (TD-DFT). The electrophilic f(-) and nucleophilic f(+) Fukui functions are well adapted to find the electrophile and nucleophile centres in the molecules. Both (1,3-selenazol-2-yl)- and (1,3-thiazol-2-yl) hydrazone Co(III) complexes showed potent antimicrobial and antioxidant activity. A significant difference among them was a smaller cytotoxicity of selenium compounds.en
dc.publisherRoyal Soc Chemistry, Cambridge
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172055/RS//
dc.rightsrestrictedAccess
dc.sourceDalton Transactions
dc.titleCo(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analoguesen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractГрубишић, Соња; Новаковић, Ирена; Ли, Хаидонг; Елсхафлу, Хана; Родић, Марко В.; Сојиц, Несо; Тодоровиц, Тамара Р.; Ђорђевић, Ивана; Филиповиц, Ненад Р.; Маринковиц, Aлександар; Малесевиц, Aлександар; Јовановиц, Љиљана С.;
dc.citation.volume46
dc.citation.issue9
dc.citation.spage2910
dc.citation.epage2924
dc.citation.other46(9): 2910-2924
dc.citation.rankM22
dc.identifier.pmid28197616
dc.identifier.doi10.1039/c6dt04785h
dc.identifier.rcubConv_3686
dc.identifier.scopus2-s2.0-85014202888
dc.identifier.wos000395887100019
dc.type.versionpublishedVersion


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