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Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand

Authorized Users Only
2019
Authors
Perić, Marko R.
Kyne, Sara H.
Gruden, Maja
Rodić, Marko V.
Jeremić, Dejan
Stanković, Dalibor M.
Brčeski, Ilija
Article (Published version)
,
© 2019, Springer-Verlag GmbH Austria, part of Springer Nature
Metadata
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Abstract
In this work we present the synthesis, and experimental and theoretical analysis of a binuclear nickel(II) complex coordinated to a new phthalazine dihydrazone-based ligand. Single-crystal X-ray diffraction analysis of the metal complex shows that the coordination geometry around each nickel(II) atom is distorted octahedral. DFT calculations predict that the magnetic exchange coupling constant of the binuclear nickel(II) complex is predominantly anti-ferromagnetic.
Keywords:
Binuclear complex / Density functional theory / Magnetic properties / X-ray structure determination
Source:
Monatshefte fur Chemie, 2019, 150, 7, 1241-1248
Funding / projects:
  • Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology (RS-172035)
  • Structure-properties relationships of natural and synthetic molecules and their metal complexes (RS-172017)
  • Strengthening of the MagBioVin Research and Innovation Team for Development of Novel Approaches for Tumour Therapy based on Nanostructured Materials (EU-621375)
Note:
  • Supplementary material: http://cherry.chem.bg.ac.rs/handle/123456789/3317

DOI: 10.1007/s00706-019-02405-7

ISSN: 0026-9247

WoS: 000475674200009

Scopus: 2-s2.0-85068563687
[ Google Scholar ]
1
URI
https://vinar.vin.bg.ac.rs/handle/123456789/8381
Collections
  • Radovi istraživača
Institution/Community
Vinča
TY  - JOUR
AU  - Perić, Marko R.
AU  - Kyne, Sara H.
AU  - Gruden, Maja
AU  - Rodić, Marko V.
AU  - Jeremić, Dejan
AU  - Stanković, Dalibor M.
AU  - Brčeski, Ilija
PY  - 2019
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8381
AB  - In this work we present the synthesis, and experimental and theoretical analysis of a binuclear nickel(II) complex coordinated to a new phthalazine dihydrazone-based ligand. Single-crystal X-ray diffraction analysis of the metal complex shows that the coordination geometry around each nickel(II) atom is distorted octahedral. DFT calculations predict that the magnetic exchange coupling constant of the binuclear nickel(II) complex is predominantly anti-ferromagnetic.
T2  - Monatshefte fur Chemie
T1  - Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand
VL  - 150
IS  - 7
SP  - 1241
EP  - 1248
DO  - 10.1007/s00706-019-02405-7
ER  - 
@article{
author = "Perić, Marko R. and Kyne, Sara H. and Gruden, Maja and Rodić, Marko V. and Jeremić, Dejan and Stanković, Dalibor M. and Brčeski, Ilija",
year = "2019",
abstract = "In this work we present the synthesis, and experimental and theoretical analysis of a binuclear nickel(II) complex coordinated to a new phthalazine dihydrazone-based ligand. Single-crystal X-ray diffraction analysis of the metal complex shows that the coordination geometry around each nickel(II) atom is distorted octahedral. DFT calculations predict that the magnetic exchange coupling constant of the binuclear nickel(II) complex is predominantly anti-ferromagnetic.",
journal = "Monatshefte fur Chemie",
title = "Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand",
volume = "150",
number = "7",
pages = "1241-1248",
doi = "10.1007/s00706-019-02405-7"
}
Perić, M. R., Kyne, S. H., Gruden, M., Rodić, M. V., Jeremić, D., Stanković, D. M.,& Brčeski, I.. (2019). Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand. in Monatshefte fur Chemie, 150(7), 1241-1248.
https://doi.org/10.1007/s00706-019-02405-7
Perić MR, Kyne SH, Gruden M, Rodić MV, Jeremić D, Stanković DM, Brčeski I. Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand. in Monatshefte fur Chemie. 2019;150(7):1241-1248.
doi:10.1007/s00706-019-02405-7 .
Perić, Marko R., Kyne, Sara H., Gruden, Maja, Rodić, Marko V., Jeremić, Dejan, Stanković, Dalibor M., Brčeski, Ilija, "Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand" in Monatshefte fur Chemie, 150, no. 7 (2019):1241-1248,
https://doi.org/10.1007/s00706-019-02405-7 . .

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