CER - Central Repository
Institute of Chemistry, Technology and Metallurgy
    • English
    • Српски
    • Српски (Serbia)
  • English 
    • English
    • Serbian (Cyrillic)
    • Serbian (Latin)
  • Login
View Item 
  •   CER
  • IHTM
  • Radovi istraživača / Researchers' publications
  • View Item
  •   CER
  • IHTM
  • Radovi istraživača / Researchers' publications
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde

Thumbnail
2015
bitstream_14199.pdf (1.583Mb)
Authors
Čobeljić, Božidar
Pevec, Andrej
Stepanović, Stepan
Spasojević, Vojislav
Milenković, Milica R.
Turel, Iztok
Swart, Marcel
Gruden-Pavlović, Maja
Adaila, Kawther
Anđelković, Katarina
Article (Accepted Version)
Metadata
Show full item record
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 a...nd protonation of the ligand.

Keywords:
Hydrazones / Ni(II) complex / PNO ligands / DFT calculations / X-ray structure
Source:
Polyhedron, 2015, 89, 271-279
Publisher:
  • Oxford : Pergamon-Elsevier Science Ltd
Funding / projects:
  • 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]
  • ICREA
Note:
  • 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
  • http://cer.ihtm.bg.ac.rs/handle/123456789/1758

DOI: 10.1016/j.poly.2015.01.024

ISSN: 0277-5387

WoS: 000351965600035

Scopus: 2-s2.0-84922820385
[ Google Scholar ]
11
7
URI
http://cherry.chem.bg.ac.rs/handle/123456789/3021
https://cer.ihtm.bg.ac.rs/handle/123456789/3143
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - 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  - http://cherry.chem.bg.ac.rs/handle/123456789/3021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3143
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 . .

DSpace software copyright © 2002-2015  DuraSpace
About CeR – Central Repository | Send Feedback

re3dataOpenAIRERCUB
 

 

All of DSpaceInstitutions/communitiesAuthorsTitlesSubjectsThis institutionAuthorsTitlesSubjects

Statistics

View Usage Statistics

DSpace software copyright © 2002-2015  DuraSpace
About CeR – Central Repository | Send Feedback

re3dataOpenAIRERCUB