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 . .

TY  - JOUR
AU  - Romanović, Mima Č.
AU  - Čobeljić, Božidar R.
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Spasojević, Vojislav
AU  - Tsaturyan, Arshak A.
AU  - Shcherbakov, Igor N.
AU  - Anđelković, Katarina
AU  - Milenković, Marina
AU  - Radanović, Dušanka
AU  - Milenković, Milica R.
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1566
AB  - A dinuclear double end-on azido bridged KM complex [Ni2L2(mu-(1),(1)-N-3)(2)(N-3)(2)] (1) with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girards T reagent) (HLCl) has been synthesized and characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction, magnetic measurements and DFT studies. In complex 1 intra-dimer ferromagnetic coupling between Ni2+ ions (J= +12.0(2) cm(-1)) and inter-dimer antiferromagnetic interaction (delta = -0.8(3) cm(-1)) were observed. DFT-BS calculations provided explanation of ferromagnetic exchange coupling in complex 1. (C) 2017 Elsevier Ltd. All rights reserved.
T2  - Polyhedron
T1  - Synthesis, crystal structure, magnetic properties and DFT study of dinuclear Ni(II) complex with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent
VL  - 128
SP  - 30
EP  - 37
DO  - 10.1016/j.poly.2017.02.039
ER  - 

@article{
author = "Romanović, Mima Č. and Čobeljić, Božidar R. and Pevec, Andrej and Turel, Iztok and Spasojević, Vojislav and Tsaturyan, Arshak A. and Shcherbakov, Igor N. and Anđelković, Katarina and Milenković, Marina and Radanović, Dušanka and Milenković, Milica R.",
year = "2017",
abstract = "A dinuclear double end-on azido bridged KM complex [Ni2L2(mu-(1),(1)-N-3)(2)(N-3)(2)] (1) with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girards T reagent) (HLCl) has been synthesized and characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction, magnetic measurements and DFT studies. In complex 1 intra-dimer ferromagnetic coupling between Ni2+ ions (J= +12.0(2) cm(-1)) and inter-dimer antiferromagnetic interaction (delta = -0.8(3) cm(-1)) were observed. DFT-BS calculations provided explanation of ferromagnetic exchange coupling in complex 1. (C) 2017 Elsevier Ltd. All rights reserved.",
journal = "Polyhedron",
title = "Synthesis, crystal structure, magnetic properties and DFT study of dinuclear Ni(II) complex with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent",
volume = "128",
pages = "30-37",
doi = "10.1016/j.poly.2017.02.039"
}

Romanović, M. Č., Čobeljić, B. R., Pevec, A., Turel, I., Spasojević, V., Tsaturyan, A. A., Shcherbakov, I. N., Anđelković, K., Milenković, M., Radanović, D.,& Milenković, M. R.. (2017). Synthesis, crystal structure, magnetic properties and DFT study of dinuclear Ni(II) complex with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent. in Polyhedron, 128, 30-37.
https://doi.org/10.1016/j.poly.2017.02.039

Romanović MČ, Čobeljić BR, Pevec A, Turel I, Spasojević V, Tsaturyan AA, Shcherbakov IN, Anđelković K, Milenković M, Radanović D, Milenković MR. Synthesis, crystal structure, magnetic properties and DFT study of dinuclear Ni(II) complex with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent. in Polyhedron. 2017;128:30-37.
doi:10.1016/j.poly.2017.02.039 .

Romanović, Mima Č., Čobeljić, Božidar R., Pevec, Andrej, Turel, Iztok, Spasojević, Vojislav, Tsaturyan, Arshak A., Shcherbakov, Igor N., Anđelković, Katarina, Milenković, Marina, Radanović, Dušanka, Milenković, Milica R., "Synthesis, crystal structure, magnetic properties and DFT study of dinuclear Ni(II) complex with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent" in Polyhedron, 128 (2017):30-37,
https://doi.org/10.1016/j.poly.2017.02.039 . .