Приказ основних података о документу

dc.creatorAnđelković, Katarina K.
dc.creatorPevec, Andrej
dc.creatorGrubišić, Sonja
dc.creatorTurel, Iztok
dc.creatorČobeljić, Božidar
dc.creatorMilenković, Milica R.
dc.creatorKeskic, Tanja
dc.creatorRadanović, Dušanka D.
dc.date.accessioned2019-07-01T10:10:01Z
dc.date.available2020-02-19
dc.date.issued2018
dc.identifier.issn0022-2860
dc.identifier.urihttps://cherry.chem.bg.ac.rs/handle/123456789/3188
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. (C) 2018 Elsevier B.V. All rights reserved.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.rightsembargoedAccess
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
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.licenseBY-NC-ND
dcterms.abstractРадановић, Душанка Д.; Aнђелковић, Катарина К.; Грубишић, Соња; Турел, Изток; Чобељић, Божидар; Певец, Aндреј; Миленковић, Милица Р.; Кескиц, Тања;
dc.citation.volume1162
dc.citation.spage63
dc.citation.epage70
dc.identifier.wos000429184600009
dc.identifier.doi10.1016/j.molstruc.2018.02.074
dc.citation.other1162: 63-70
dc.citation.rankM23
dc.description.otherThis is peer-reviewed version of the following article: Anđelković, K.; Pevec, A.; Grubišić, S.; Turel, I.; Čobeljić, B.; Milenković, M. R.; Keškić, T.; Radanović, D. Crystal 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 Reagent. Journal of Molecular Structure 2018, 1162, 63–70. [https://doi.org/10.1016/j.molstruc.2018.02.074]
dc.type.versionacceptedVersionen
dc.identifier.scopus2-s2.0-85042936875
dc.identifier.fulltexthttps://cherry.chem.bg.ac.rs/bitstream/id/7863/Crystal_structures_and_acc_2018.pdf


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