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dc.creatorAnđelković, Katarina
dc.creatorPevec, Andrej
dc.creatorGrubišić, Sonja
dc.creatorTurel, Iztok
dc.creatorČobeljić, Božidar
dc.creatorMilenković, Milica
dc.creatorKeškić, Tanja
dc.creatorRadanović, Dušanka
dc.date.accessioned2019-01-30T17:58:25Z
dc.date.available2019-01-30T17:58:25Z
dc.date.issued2018
dc.identifier.issn0022-2860
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/2339
dc.description.abstractThe mixed chloride-azide [ZnL(N-3)(1.65)Cl-0.35] (1) and chloride-isocyanate [CdL(NCO)(1.64)Cl-0.36] (2) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium aceto-hydrazide chloride (Girard's T reagent) (HLCl) have been prepared and characterized by X-ray crystallography. In complexes 1 and 2, Znl and Cd1 ions, respectively, are five-coordinated in a distorted square based pyramidal geometry with NNO set of donor atoms of deprotonated hydrazone ligand and two monodentate ligands N-3(-) and/or N-3(-) and Cl- in the case of I and OCN- and/or OCN- and Cl- in the case of 2. The structural parameters of 1 and 2 have been discussed in relation to those of previously reported M(II) complexes with the same hydrazone ligand. Density functional theory calculations have been employed to study the interaction between the Zn2+ and Cd2+ ions and ligands. High affinity of ligands towards the Zn2+ and Cd2+ ions are predicted for both complexes.en
dc.publisherElsevier Science Bv, Amsterdam
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172055/RS//
dc.relationSlovenian Research Agency [P-0175]
dc.rightsrestrictedAccess
dc.sourceJournal of Molecular Structure
dc.subjectZn(II) and Cd(II) complexesen
dc.subjectHydrazonesen
dc.subjectMixed crystalsen
dc.subjectDFTen
dc.titleCrystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagenten
dc.typearticle
dc.rights.licenseARR
dcterms.abstractКескиц, Тања; Грубишић, Соња; Радановић, Душанка; Турел, Изток; Миленковиц, Милица Р.; Певец, Aндреј; Цобељиц, Бозидар; Aнђелковиц, Катарина;
dc.citation.volume1162
dc.citation.spage63
dc.citation.epage70
dc.citation.other1162: 63-70
dc.citation.rankM22
dc.description.otherThe peer-reviewed version: [http://cer.ihtm.bg.ac.rs/handle/123456789/3010]
dc.identifier.doi10.1016/j.molstruc.2018.02.074
dc.identifier.rcubConv_3914
dc.identifier.scopus2-s2.0-85042936875
dc.identifier.wos000429184600009
dc.type.versionpublishedVersion


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