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dc.creatorCobeljic, Bozidar
dc.creatorPevec, Andrej
dc.creatorStepanovic, Stepan
dc.creatorSpasojević, Vojislav
dc.creatorMilenkovic, Milica
dc.creatorTurel, Iztok
dc.creatorSwart, Marcel
dc.creatorGruden-Pavlović, Maja
dc.creatorAdaila, Kawther
dc.creatorAnđelković, Katarina
dc.description.abstractOctahedral and square-planar isothiocyanato complexes of Ni(II) with the condensation derivative of 2-(diphenylphosphino)benzaldehyde and Girards 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.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172055/RS//
dc.relationSlovenian Research Agency (ARRS) [P-0175], EN-FIST Centre of Excellence, Ministerio de Ciencia e Innovacion (MICINN) [CTQ2011-25086/BQU], DIUE of the Generalitat de Catalunya [20145GR1202], DIUE of the Generalitat de Catalunya (XRQTC), MICINN (Ministry of Science and Innovation, Spain), FEDER fund (European Fund for Regional Development) [UNGI08-4E-003], COST Action [CM1305], ICREA
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
dcterms.abstractСтепановиц, Степан; Турел, Изток; Aнделковиц, Катарина; Груден-Павловиц, Маја; Певец, Aндреј; Цобељиц, Бозидар; Спасојевић Војислав; Миленковиц, Милица; Aдаила, Каwтхер; Сwарт, Марцел;

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