Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde
Само за регистроване кориснике
2015
Аутори
Čobeljić, BožidarPevec, Andrej
Stepanović, Stepan
Spasojević, Vojislav
Milenković, Milica R.
Turel, Iztok
Swart, Marcel
Gruden-Pavlović, Maja
Adaila, Kawther
Anđelković, Katarina
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
Hydrazones / Ni(II) complex / PNO ligands / DFT calculations / X-ray structureИзвор:
Polyhedron, 2015, 89, 271-279Издавач:
- Oxford : Pergamon-Elsevier Science Ltd
Финансирање / пројекти:
- Интеракције природних производа, њихових деривата и комплексних једињења са протеинима и нуклеинским киселинама (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]
- ICREA
Напомена:
- The peer-reviewed version: http://cer.ihtm.bg.ac.rs/handle/123456789/3143
DOI: 10.1016/j.poly.2015.01.024
ISSN: 0277-5387
WoS: 000351965600035
Scopus: 2-s2.0-84922820385
Институција/група
IHTMTY - JOUR AU - Čobeljić, Božidar AU - Pevec, Andrej AU - Stepanović, Stepan AU - Spasojević, Vojislav AU - Milenković, Milica R. AU - Turel, Iztok AU - Swart, Marcel AU - Gruden-Pavlović, Maja AU - Adaila, Kawther AU - Anđelković, Katarina PY - 2015 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/1758 AB - 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 and protonation of the ligand. PB - Oxford : Pergamon-Elsevier Science Ltd T2 - Polyhedron T1 - Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde VL - 89 SP - 271 EP - 279 DO - 10.1016/j.poly.2015.01.024 ER -
@article{ author = "Čobeljić, Božidar and Pevec, Andrej and Stepanović, Stepan and Spasojević, Vojislav and Milenković, Milica R. and Turel, Iztok and Swart, Marcel and Gruden-Pavlović, Maja and Adaila, Kawther and Anđelković, Katarina", year = "2015", abstract = "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 and protonation of the ligand.", publisher = "Oxford : Pergamon-Elsevier Science Ltd", journal = "Polyhedron", title = "Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde", volume = "89", pages = "271-279", doi = "10.1016/j.poly.2015.01.024" }
Čobeljić, B., Pevec, A., Stepanović, S., Spasojević, V., Milenković, M. R., Turel, I., Swart, M., Gruden-Pavlović, M., Adaila, K.,& Anđelković, K.. (2015). Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde. in Polyhedron Oxford : Pergamon-Elsevier Science Ltd., 89, 271-279. https://doi.org/10.1016/j.poly.2015.01.024
Čobeljić B, Pevec A, Stepanović S, Spasojević V, Milenković MR, Turel I, Swart M, Gruden-Pavlović M, Adaila K, Anđelković K. Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde. in Polyhedron. 2015;89:271-279. doi:10.1016/j.poly.2015.01.024 .
Čobeljić, Božidar, Pevec, Andrej, Stepanović, Stepan, Spasojević, Vojislav, Milenković, Milica R., Turel, Iztok, Swart, Marcel, Gruden-Pavlović, Maja, Adaila, Kawther, Anđelković, Katarina, "Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde" in Polyhedron, 89 (2015):271-279, https://doi.org/10.1016/j.poly.2015.01.024 . .