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  - Milenković, Milica R.
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Spasojević, Vojislav
AU  - Grubišić, Sonja
AU  - Radanović, Dušanka
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2018
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1898
AB  - A tridentate NNO condensation product of 2-quinolinecarboxaldehyde and Girards T reagent (HLC1) in the presence of azide ions coordinates with cobalt(II) giving mononuclear azido Co(II) complex [CoHL (N-3)(3)](1) as a main product and dinuclear end-on azido bridged Co(II) complex [Co2L2(mu-(1,1)-N-3)(2)(N-3)(2)] (2) in traces. Crystal structures of both complexes were determined. Variable temperature magnetic susceptibility measurement studies of complex I showed that Co(II) cation is in the low-spin state with t(2g)(6)e(g)(1) (S = 1/2) configuration. DFT-BS calculations for complex 2 anticipated ferromagnetic type interaction between paramagnetic centers (J = 53 cm(-1)). (C) 2017 Elsevier Ltd. All rights reserved.
T2  - Polyhedron
T1  - Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent
VL  - 139
SP  - 142
EP  - 147
DO  - 10.1016/j.poly.2017.10.018
ER  - 

@article{
author = "Romanović, Mima Č. and Milenković, Milica R. and Pevec, Andrej and Turel, Iztok and Spasojević, Vojislav and Grubišić, Sonja and Radanović, Dušanka and Anđelković, Katarina and Čobeljić, Božidar",
year = "2018",
abstract = "A tridentate NNO condensation product of 2-quinolinecarboxaldehyde and Girards T reagent (HLC1) in the presence of azide ions coordinates with cobalt(II) giving mononuclear azido Co(II) complex [CoHL (N-3)(3)](1) as a main product and dinuclear end-on azido bridged Co(II) complex [Co2L2(mu-(1,1)-N-3)(2)(N-3)(2)] (2) in traces. Crystal structures of both complexes were determined. Variable temperature magnetic susceptibility measurement studies of complex I showed that Co(II) cation is in the low-spin state with t(2g)(6)e(g)(1) (S = 1/2) configuration. DFT-BS calculations for complex 2 anticipated ferromagnetic type interaction between paramagnetic centers (J = 53 cm(-1)). (C) 2017 Elsevier Ltd. All rights reserved.",
journal = "Polyhedron",
title = "Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent",
volume = "139",
pages = "142-147",
doi = "10.1016/j.poly.2017.10.018"
}

Romanović, M. Č., Milenković, M. R., Pevec, A., Turel, I., Spasojević, V., Grubišić, S., Radanović, D., Anđelković, K.,& Čobeljić, B.. (2018). Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent. in Polyhedron, 139, 142-147.
https://doi.org/10.1016/j.poly.2017.10.018

Romanović MČ, Milenković MR, Pevec A, Turel I, Spasojević V, Grubišić S, Radanović D, Anđelković K, Čobeljić B. Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent. in Polyhedron. 2018;139:142-147.
doi:10.1016/j.poly.2017.10.018 .

Romanović, Mima Č., Milenković, Milica R., Pevec, Andrej, Turel, Iztok, Spasojević, Vojislav, Grubišić, Sonja, Radanović, Dušanka, Anđelković, Katarina, Čobeljić, Božidar, "Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girards T reagent" in Polyhedron, 139 (2018):142-147,
https://doi.org/10.1016/j.poly.2017.10.018 . .

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 . .

TY  - JOUR
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Stepanovic, Stepan
AU  - Spasojević, Vojislav
AU  - Milenković, Milica
AU  - Turel, Iztok
AU  - Swart, Marcel
AU  - Gruden-Pavlović, Maja
AU  - Adaila, Kawther
AU  - Anđelković, Katarina
PY  - 2015
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/474
AB  - Octahedral and square-planar isothiocyanato complexes of Ni(II) with the condensation derivative of 2-(diphenylphosphino)benzaldehyde and Girards 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. (C) 2015 Elsevier Ltd. All rights reserved.
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 Stepanovic, Stepan and Spasojević, Vojislav and Milenković, Milica 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 Girards 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. (C) 2015 Elsevier Ltd. All rights reserved.",
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., Stepanovic, S., Spasojević, V., Milenković, M., 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, 89, 271-279.
https://doi.org/10.1016/j.poly.2015.01.024

Čobeljić B, Pevec A, Stepanovic S, Spasojević V, Milenković M, 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, Stepanovic, Stepan, Spasojević, Vojislav, Milenković, Milica, 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 . .

TY  - JOUR
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Spasojević, Vojislav
AU  - Milčić, Miloš K.
AU  - Mitić, Dragana
AU  - Sladić, Dušan M.
AU  - Anđelković, Katarina
PY  - 2014
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5887
AB  - 3-Acetylpyridine thiosemicarbazone hydrochloride was synthesized and structurally characterized. Complexes of Cu(II) with this ligand could not be obtained by direct synthesis. By synthesis in situ mixing Cu(BF4)(2)center dot 6H(2)O, 3-acetylpyridine (3-Acpy) and semicarbazide, a Cu(I) polymer, {[Cu(SCN)(3-Acpy)(2)]}(n) was obtained and structurally characterized. Reaction of Cu(BF4)(2)center dot 6H(2)O, 3-acetylpyridine and ammonium thiocyanate afforded a dinuclear Cu(II) complex with two thiocyanate ions in bridges, which was structurally characterized. Magnetic measurements were performed for the dinuclear complex. OFT calculations provided explanation for inability to obtain a mononuclear complex. (C) 2013 Elsevier Ltd. All rights reserved.
T2  - Polyhedron
T1  - Analysis of the structures of the Cu(I) and Cu(II) complexes with 3-acetylpyridine and thiocyanate
VL  - 69
SP  - 77
EP  - 83
DO  - 10.1016/j.poly.2013.11.027
ER  - 

@article{
author = "Čobeljić, Božidar and Pevec, Andrej and Turel, Iztok and Spasojević, Vojislav and Milčić, Miloš K. and Mitić, Dragana and Sladić, Dušan M. and Anđelković, Katarina",
year = "2014",
abstract = "3-Acetylpyridine thiosemicarbazone hydrochloride was synthesized and structurally characterized. Complexes of Cu(II) with this ligand could not be obtained by direct synthesis. By synthesis in situ mixing Cu(BF4)(2)center dot 6H(2)O, 3-acetylpyridine (3-Acpy) and semicarbazide, a Cu(I) polymer, {[Cu(SCN)(3-Acpy)(2)]}(n) was obtained and structurally characterized. Reaction of Cu(BF4)(2)center dot 6H(2)O, 3-acetylpyridine and ammonium thiocyanate afforded a dinuclear Cu(II) complex with two thiocyanate ions in bridges, which was structurally characterized. Magnetic measurements were performed for the dinuclear complex. OFT calculations provided explanation for inability to obtain a mononuclear complex. (C) 2013 Elsevier Ltd. All rights reserved.",
journal = "Polyhedron",
title = "Analysis of the structures of the Cu(I) and Cu(II) complexes with 3-acetylpyridine and thiocyanate",
volume = "69",
pages = "77-83",
doi = "10.1016/j.poly.2013.11.027"
}

Čobeljić, B., Pevec, A., Turel, I., Spasojević, V., Milčić, M. K., Mitić, D., Sladić, D. M.,& Anđelković, K.. (2014). Analysis of the structures of the Cu(I) and Cu(II) complexes with 3-acetylpyridine and thiocyanate. in Polyhedron, 69, 77-83.
https://doi.org/10.1016/j.poly.2013.11.027

Čobeljić B, Pevec A, Turel I, Spasojević V, Milčić MK, Mitić D, Sladić DM, Anđelković K. Analysis of the structures of the Cu(I) and Cu(II) complexes with 3-acetylpyridine and thiocyanate. in Polyhedron. 2014;69:77-83.
doi:10.1016/j.poly.2013.11.027 .

Čobeljić, Božidar, Pevec, Andrej, Turel, Iztok, Spasojević, Vojislav, Milčić, Miloš K., Mitić, Dragana, Sladić, Dušan M., Anđelković, Katarina, "Analysis of the structures of the Cu(I) and Cu(II) complexes with 3-acetylpyridine and thiocyanate" in Polyhedron, 69 (2014):77-83,
https://doi.org/10.1016/j.poly.2013.11.027 . .