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 . .

TY  - JOUR
AU  - Darmanović, Darinka
AU  - Shcherbakov, Igor N.
AU  - Duboc, Carole
AU  - Spasojević, Vojislav
AU  - Hanžel, Darko
AU  - Anđelković, Katarina
AU  - Radanović, Dušanka D.
AU  - Turel, Iztok
AU  - Milenković, Milica R.
AU  - Gruden, Maja
AU  - Čobeljić, Božidar
AU  - Zlatar, Matija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3855
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8751
AB  - Magnetic anisotropy in pentagonal bipyramidal complexes of Co(II) (1 and 2), Fe(III) (3 and 4), and Ni(II) (5) with a 2,2′-[2,6-pyridinediylbis(ethylidyne-1-hydrazinyl-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] equatorial ligand and isothiocyanato axial ligands has been investigated by magnetic susceptibility measurements, powder X-band electron paramagnetic resonance (EPR) spectroscopy, Mössbauer spectroscopy, ab initio, and ligand-field density functional theory (LFDFT) calculations. The studied complexes display three distinct types of magnetic anisotropy. Co(II) complexes (1 and 2) show an easy plane anisotropy with large and positive D values and negligible rhombicity. The Ni(II) complex (5) has uniaxial magnetic anisotropy with a negative D value. Fe(III) complexes (3 and 4) have small zero-field splitting (ZFS) parameters. Theoretical modeling is used to rationalize the magnetic anisotropy in these systems and to identify the most important excited states that are responsible for the zero-field splitting. These excitations are a consequence of the electronic structure of the central metal ion in ideal pentagonal bipyramidal coordination.
T2  - The Journal of Physical Chemistry C
T1  - Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone
VL  - 123
IS  - 51
SP  - 31142
EP  - 31155
DO  - 10.1021/acs.jpcc.9b08066
ER  - 

@article{
author = "Darmanović, Darinka and Shcherbakov, Igor N. and Duboc, Carole and Spasojević, Vojislav and Hanžel, Darko and Anđelković, Katarina and Radanović, Dušanka D. and Turel, Iztok and Milenković, Milica R. and Gruden, Maja and Čobeljić, Božidar and Zlatar, Matija",
year = "2019",
abstract = "Magnetic anisotropy in pentagonal bipyramidal complexes of Co(II) (1 and 2), Fe(III) (3 and 4), and Ni(II) (5) with a 2,2′-[2,6-pyridinediylbis(ethylidyne-1-hydrazinyl-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] equatorial ligand and isothiocyanato axial ligands has been investigated by magnetic susceptibility measurements, powder X-band electron paramagnetic resonance (EPR) spectroscopy, Mössbauer spectroscopy, ab initio, and ligand-field density functional theory (LFDFT) calculations. The studied complexes display three distinct types of magnetic anisotropy. Co(II) complexes (1 and 2) show an easy plane anisotropy with large and positive D values and negligible rhombicity. The Ni(II) complex (5) has uniaxial magnetic anisotropy with a negative D value. Fe(III) complexes (3 and 4) have small zero-field splitting (ZFS) parameters. Theoretical modeling is used to rationalize the magnetic anisotropy in these systems and to identify the most important excited states that are responsible for the zero-field splitting. These excitations are a consequence of the electronic structure of the central metal ion in ideal pentagonal bipyramidal coordination.",
journal = "The Journal of Physical Chemistry C",
title = "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone",
volume = "123",
number = "51",
pages = "31142-31155",
doi = "10.1021/acs.jpcc.9b08066"
}

Darmanović, D., Shcherbakov, I. N., Duboc, C., Spasojević, V., Hanžel, D., Anđelković, K., Radanović, D. D., Turel, I., Milenković, M. R., Gruden, M., Čobeljić, B.,& Zlatar, M.. (2019). Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone. in The Journal of Physical Chemistry C, 123(51), 31142-31155.
https://doi.org/10.1021/acs.jpcc.9b08066

Darmanović D, Shcherbakov IN, Duboc C, Spasojević V, Hanžel D, Anđelković K, Radanović DD, Turel I, Milenković MR, Gruden M, Čobeljić B, Zlatar M. Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone. in The Journal of Physical Chemistry C. 2019;123(51):31142-31155.
doi:10.1021/acs.jpcc.9b08066 .

Darmanović, Darinka, Shcherbakov, Igor N., Duboc, Carole, Spasojević, Vojislav, Hanžel, Darko, Anđelković, Katarina, Radanović, Dušanka D., Turel, Iztok, Milenković, Milica R., Gruden, Maja, Čobeljić, Božidar, Zlatar, Matija, "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone" in The Journal of Physical Chemistry C, 123, no. 51 (2019):31142-31155,
https://doi.org/10.1021/acs.jpcc.9b08066 . .