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dc.creatorČobeljić, Božidar
dc.creatorPevec, Andrej
dc.creatorStepanović, Stepan
dc.creatorSpasojević, Vojislav
dc.creatorMilenković, Milica R.
dc.creatorTurel, Iztok
dc.creatorSwart, Marcel
dc.creatorGruden-Pavlović, Maja
dc.creatorAdaila, Kawther
dc.creatorAnđelković, Katarina K.
dc.date.accessioned2018-11-22T00:31:05Z
dc.date.available2018-11-22T00:31:05Z
dc.date.issued2015
dc.identifier.issn0277-5387
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/1687
dc.description.abstractOctahedral and square-planar isothiocyanato complexes of Ni(II) with the condensation derivative of 2-(diphenylphosphino)benzaldehyde and Girard's T reagent were synthesized and characterized by elemental analysis, IR spectroscopy and X-ray crystallography. Results of magnetic measurements for octahedral Ni(II) complex were also reported. In all the complexes the ligand is coordinated as tridentate via the phosphorus, the imine nitrogen and the carbonyl oxygen atoms while the remaining coordination positions are occupied with thiocyanato anions. Coordination of deprotonated phosphine ligand results in formation of square-planar complexes, while the octahedral complex was formed with protonated ligand. Reaction energetics with both forms of ligand were studied by the means of DFT and results were in complete agreement with experimental observations. Furthermore, ligand field splitting analysis gave the deeper insight in the relationship of the isolated complex coordination environment and protonation of the ligand. (C) 2015 Elsevier Ltd. All rights reserved.en
dc.publisherPergamon-Elsevier Science Ltd, Oxford
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172055/RS//
dc.relationSlovenian Research Agency (ARRS) [P-0175]
dc.relationEN-FIST Centre of Excellence
dc.relationCOST Action [CM1305]
dc.relationFEDER fund (European Fund for Regional Development) [UNGI08-4E-003]
dc.relationMinisterio de Ciencia e Innovacion (MICINN) [CTQ2011-25086/BQU]
dc.relationDIUE of the Generalitat de Catalunya (XRQTC)
dc.relationMICINN (Ministry of Science and Innovation, Spain)
dc.relationDIUE of the Generalitat de Catalunya [20145GR1202]
dc.relationICREA
dc.rightsrestrictedAccess
dc.sourcePolyhedron
dc.subjectHydrazonesen
dc.subjectNi(II) complexen
dc.subjectPNO ligandsen
dc.subjectDFT calculationsen
dc.subjectX-ray structureen
dc.titleExperimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehydeen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractСwарт, Марцел; Чобељић, Божидар; Певец, Aндреј; Степановиц, Степан; Спасојевиц, Војислав; Миленковић, Милица; Турел, Изток; Aдаила, Каwтхер; Груден-Павловић, Маја; Aнђелковић, Катарина;
dc.citation.volume89
dc.citation.spage271
dc.citation.epage279
dc.citation.epagePeer-reviewed manuscript: [http://cherry.chem.bg.ac.rs/handle/123456789/3021]
dc.identifier.wos000351965600035
dc.identifier.doi10.1016/j.poly.2015.01.024
dc.citation.other89: 271-279
dc.citation.rankM22
dc.description.otherSupplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/2904]
dc.description.otherPeer-reviewed manuscript: [http://cherry.chem.bg.ac.rs/handle/123456789/3021]
dc.type.versionpublishedVersionen
dc.identifier.scopus2-s2.0-84922820385
dc.identifier.rcubKon_2833


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