Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde
Milenković, Milica R.
Anđelković, Katarina K.
Article (Accepted Version)
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Octahedral 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 a...nd protonation of the ligand.
Keywords:Hydrazones / Ni(II) complex / PNO ligands / DFT calculations / X-ray structure
Source:Polyhedron, 2015, 89, 271-279
- Pergamon-Elsevier Science Ltd, Oxford
- Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids (RS-172055)
- Slovenian Research Agency (ARRS) [P-0175]
- EN-FIST Centre of Excellence
- COST Action ECOSTBio (Explicit Control Over Spin-States in Technology and Biochemistry) including a STSM grant [CM1305, COST-STSM-CM1305-25068]
- FEDER fund (European Fund for Regional Development) [UNGI08-4E-003]
- Ministerio de Ciencia e Innovacion (MICINN) [CTQ2011-25086/BQU]
- DIUE of the Generalitat de Catalunya (XRQTC)
- MICINN (Ministry of Science and Innovation, Spain)
- DIUE of the Generalitat de Catalunya [20145GR1202]
- This is the peer-reviewed version of the following article: Čobeljić, B.; Pevec, A.; Stepanović, S.; Spasojević, V.; Milenković, M. R.; Turel, I.; Swart, M.; Gruden-Pavlović, M.; Adaila, K.; Anđelković, K. K. Experimental and Theoretical Investigation of Octahedral and Square-Planar Isothiocyanato Complexes of Ni(II) with Acylhydrazones of 2-(Diphenylphosphino)Benzaldehyde. Polyhedron 2015, 89, 271–279. https://doi.org/10.1016/j.poly.2015.01.024