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dc.creatorBradan, Gabrijela
dc.creatorPevec, Andrej
dc.creatorTurel, Iztok
dc.creatorShcherbakov, Igor N.
dc.creatorMilenković, Milica
dc.creatorMilenković, Marina
dc.creatorRadanović, Dušanka
dc.creatorCobeljić, Božidar
dc.creatorAnđelković, Katarina
dc.date.accessioned2019-09-02T11:55:08Z
dc.date.available2019-09-02T11:55:08Z
dc.date.issued2016
dc.identifier.issn0095-8972
dc.identifier.urihttps://farfar.pharmacy.bg.ac.rs/handle/123456789/2712
dc.description.abstractIsothiocyanate complexes of Zn(II) and Cd(II) with the condensation product of 2,6-diacetylpyridine and trimethylammoniumacetohydrazide (Girard's T reagent) were synthesized, characterized, and their antimicrobial activities were evaluated. The structures of the complexes were determined by elemental analysis, IR, and NMR spectroscopy. The crystal structure of the Zn(II) complex was also determined. Quantum-chemical calculations of the geometry and total energy of isomers of 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone) were performed in vacuum and methanol solution, with the aim to explain conformational behavior and E/Z isomerism of this compound. DFT calculations of the molecular structures and the relative stabilities of linkage isomers of the Cd(II) complex showed that the isomer with N-Cd-N coordination of SCN- is the most stable. Complexes of Zn(II) and Cd(II) exhibited low to moderate activity against the tested microbial strains. [GRAPHICS]en
dc.publisherTaylor & Francis Ltd, Abingdon
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172055/RS//
dc.relationSlovenian Research Agency - P-0175
dc.relationSFedU - 213.01-07-2014/03PChVG
dc.rightsrestrictedAccess
dc.sourceJournal of Coordination Chemistry
dc.titleSynthesis, characterization, DFT calculations and antimicrobial activity of pentagonal-bipyramidal Zn(II) and Cd(II) complexes with 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone)en
dc.typearticle
dc.rights.licenseARR
dcterms.abstractРадановић, Душанка; Миленковић, Милица; Aнделковић, Катарина; Цобељић, Божидар; Турел, Изток; Схцхербаков, Игор Н.; Певец, Aндреј; Брадан, Габријела; Миленковић, Марина;
dc.citation.volume69
dc.citation.issue18
dc.citation.spage2754
dc.citation.epage2765
dc.citation.other69(18): 2754-2765
dc.citation.rankM22
dc.identifier.wos000383964300010
dc.identifier.doi10.1080/00958972.2016.1212339
dc.identifier.scopus2-s2.0-84979502281
dc.identifier.rcubconv_3666
dc.type.versionpublishedVersion


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