TY  - JOUR
AU  - Hollo, Berta
AU  - Tomić, Zoran D.
AU  - Pogany, Peter
AU  - Kovacs, Attila
AU  - Leovac, Vukadin M.
AU  - Szecsenyi, Katalin Meszaros
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3839
AB  - The complex formation of 3,5-dimethylpyrazole-1-carboxamidinium nitrate, HL center dot HNO(3) with ammine complexes of cadmium(II) halides (Cl, Br, I) and zinc(II) chloride has been investigated under self-controlled reaction conditions. The complexes have been characterized by X-ray diffraction, FT-IR spectroscopy, thermal analysis and quantum chemical calculations. In the case of cadmium bromide and iodide salts, isostructural complexes with composition of [CdX(2)(HL)(2)] were formed. With CdCl(2) a binuclear octahedral [Cd(2)(HL)(4)(mu-Cl)(2)](NO(3))(2) complex is obtained. Zinc(II) chloride with HL center dot HNO(3) gives [Zn(HL)(2)Cl]NO(3), the zinc center exhibiting severely distorted five-coordinate stereochemistry, intermediate between an ideal trigonal bipyramid and a square pyramid. The course of complex formation as well as the thermal properties of the compounds has been explained using the HSAB principle. The assignment of the FT-IR spectra was supported by DFT computations. (C) 2009 Elsevier Ltd. All rights reserved.
T2  - Polyhedron
T1  - Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine
VL  - 28
IS  - 17
SP  - 3881
EP  - 3889
DO  - 10.1016/j.poly.2009.08.020
ER  - 

@article{
author = "Hollo, Berta and Tomić, Zoran D. and Pogany, Peter and Kovacs, Attila and Leovac, Vukadin M. and Szecsenyi, Katalin Meszaros",
year = "2009",
abstract = "The complex formation of 3,5-dimethylpyrazole-1-carboxamidinium nitrate, HL center dot HNO(3) with ammine complexes of cadmium(II) halides (Cl, Br, I) and zinc(II) chloride has been investigated under self-controlled reaction conditions. The complexes have been characterized by X-ray diffraction, FT-IR spectroscopy, thermal analysis and quantum chemical calculations. In the case of cadmium bromide and iodide salts, isostructural complexes with composition of [CdX(2)(HL)(2)] were formed. With CdCl(2) a binuclear octahedral [Cd(2)(HL)(4)(mu-Cl)(2)](NO(3))(2) complex is obtained. Zinc(II) chloride with HL center dot HNO(3) gives [Zn(HL)(2)Cl]NO(3), the zinc center exhibiting severely distorted five-coordinate stereochemistry, intermediate between an ideal trigonal bipyramid and a square pyramid. The course of complex formation as well as the thermal properties of the compounds has been explained using the HSAB principle. The assignment of the FT-IR spectra was supported by DFT computations. (C) 2009 Elsevier Ltd. All rights reserved.",
journal = "Polyhedron",
title = "Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine",
volume = "28",
number = "17",
pages = "3881-3889",
doi = "10.1016/j.poly.2009.08.020"
}

Hollo, B., Tomić, Z. D., Pogany, P., Kovacs, A., Leovac, V. M.,& Szecsenyi, K. M.. (2009). Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine. in Polyhedron, 28(17), 3881-3889.
https://doi.org/10.1016/j.poly.2009.08.020

Hollo B, Tomić ZD, Pogany P, Kovacs A, Leovac VM, Szecsenyi KM. Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine. in Polyhedron. 2009;28(17):3881-3889.
doi:10.1016/j.poly.2009.08.020 .

Hollo, Berta, Tomić, Zoran D., Pogany, Peter, Kovacs, Attila, Leovac, Vukadin M., Szecsenyi, Katalin Meszaros, "Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine" in Polyhedron, 28, no. 17 (2009):3881-3889,
https://doi.org/10.1016/j.poly.2009.08.020 . .

TY  - JOUR
AU  - Leovac, Vukadin M.
AU  - Tomić, Zoran D.
AU  - Kovacs, Attila
AU  - Joksović, Milan D.
AU  - Jovanović, Ljijana S.
AU  - Szecsenyi, Katalin Meszaros
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3352
AB  - In the reaction of Co(NO3)(2) center dot 6H(2)O with 4-acetyl-3-amino-5-methylpyrazole (aamp) two octahedral Co(II) complexes, [Co(aamp)2(H2O)(4)](NO3)(2), 1, and [Co(ampf)(MeOH)(2)NO3]NO3 (ampf= N,N-bis(4-acetyl-5-metliylpyrazole-3-yl)formamidine), 2, were obtained, depending on the reaction conditions. The presence of water in the reaction system leads to incorporation of water molecules into the crystal lattice and I was formed. In all anhydrous environment, due to addition of CH(OEt)3, the fusion of two aamp) was induced through their NH2-groups, incorporating the methine group of CH(OEt)(3). As a result, complex 2, containing an adenino-mimetic NNO pharmacophore ligand, was obtained. The crystal and molecular structure of both compounds was determined. The coordination of aamp in I was achieved through N2 of the pyrazole ring. On the contrary, in 2, an unusual coordination mode of pyrazole is found: one of the pyrazole moieties, due to steric hindrance, coordinates through the oxygen atom of the acetyl group instead of N2. The complexes were characterized by elemental analysis and electronic spectra. For 2 a comprehensive IR spectral analysis is given. The metalligand interactions in 2 are analyzed by quantum chemical computations. The desolvation mechanism of both compounds is discussed in detail. (c) 2007 Elsevier B.V. All rights reserved.
T2  - Journal of Organometallic Chemistry
T1  - Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand
VL  - 693
IS  - 1
SP  - 77
EP  - 86
DO  - 10.1016/j.jorganchem.2007.10.018
ER  - 

@article{
author = "Leovac, Vukadin M. and Tomić, Zoran D. and Kovacs, Attila and Joksović, Milan D. and Jovanović, Ljijana S. and Szecsenyi, Katalin Meszaros",
year = "2008",
abstract = "In the reaction of Co(NO3)(2) center dot 6H(2)O with 4-acetyl-3-amino-5-methylpyrazole (aamp) two octahedral Co(II) complexes, [Co(aamp)2(H2O)(4)](NO3)(2), 1, and [Co(ampf)(MeOH)(2)NO3]NO3 (ampf= N,N-bis(4-acetyl-5-metliylpyrazole-3-yl)formamidine), 2, were obtained, depending on the reaction conditions. The presence of water in the reaction system leads to incorporation of water molecules into the crystal lattice and I was formed. In all anhydrous environment, due to addition of CH(OEt)3, the fusion of two aamp) was induced through their NH2-groups, incorporating the methine group of CH(OEt)(3). As a result, complex 2, containing an adenino-mimetic NNO pharmacophore ligand, was obtained. The crystal and molecular structure of both compounds was determined. The coordination of aamp in I was achieved through N2 of the pyrazole ring. On the contrary, in 2, an unusual coordination mode of pyrazole is found: one of the pyrazole moieties, due to steric hindrance, coordinates through the oxygen atom of the acetyl group instead of N2. The complexes were characterized by elemental analysis and electronic spectra. For 2 a comprehensive IR spectral analysis is given. The metalligand interactions in 2 are analyzed by quantum chemical computations. The desolvation mechanism of both compounds is discussed in detail. (c) 2007 Elsevier B.V. All rights reserved.",
journal = "Journal of Organometallic Chemistry",
title = "Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand",
volume = "693",
number = "1",
pages = "77-86",
doi = "10.1016/j.jorganchem.2007.10.018"
}

Leovac, V. M., Tomić, Z. D., Kovacs, A., Joksović, M. D., Jovanović, L. S.,& Szecsenyi, K. M.. (2008). Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand. in Journal of Organometallic Chemistry, 693(1), 77-86.
https://doi.org/10.1016/j.jorganchem.2007.10.018

Leovac VM, Tomić ZD, Kovacs A, Joksović MD, Jovanović LS, Szecsenyi KM. Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand. in Journal of Organometallic Chemistry. 2008;693(1):77-86.
doi:10.1016/j.jorganchem.2007.10.018 .

Leovac, Vukadin M., Tomić, Zoran D., Kovacs, Attila, Joksović, Milan D., Jovanović, Ljijana S., Szecsenyi, Katalin Meszaros, "Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand" in Journal of Organometallic Chemistry, 693, no. 1 (2008):77-86,
https://doi.org/10.1016/j.jorganchem.2007.10.018 . .

TY  - JOUR
AU  - Kovacs, Attila
AU  - Meszaros Szecsenyi, Katalin
AU  - Leovac, Vukadin M.
AU  - Tomić, Zoran D.
AU  - Pokol, Gyoergy
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3200
AB  - The trinuclear [Zn-3(Hdmpz)(2)(dmpz)(4)(NCS)(2)] complex (Hdmpz: 3,5-dimethylpyrazole) has been synthesized by the reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamidepyrazole. The ammonia evolving gradually from [Zn(NH3)(4)]Cl-2 ensured a mild gradually increasing basic pH during the synthesis which caused a cleavage of the 1-N-substituent. Moreover, the changing pH controlled the pyrazolate anion-neutral ligand equilibrium, and in this way the formation of the precipitate complex. The structure of the complex was investigated by X-ray diffraction and quantum chemical computations. The complex was characterized in detail by FT-IR-spectroscopy and thermal analysis. The bonding interactions between Zn2+ and the ligands were analysed on the basis of the computed data. (c) 2007 Elsevier B.V. All rights reserved.
T2  - Journal of Organometallic Chemistry
T1  - Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole
VL  - 692
IS  - 12
SP  - 2582
EP  - 2592
DO  - 10.1016/j.jorganchem.2007.03.003
ER  - 

@article{
author = "Kovacs, Attila and Meszaros Szecsenyi, Katalin and Leovac, Vukadin M. and Tomić, Zoran D. and Pokol, Gyoergy",
year = "2007",
abstract = "The trinuclear [Zn-3(Hdmpz)(2)(dmpz)(4)(NCS)(2)] complex (Hdmpz: 3,5-dimethylpyrazole) has been synthesized by the reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamidepyrazole. The ammonia evolving gradually from [Zn(NH3)(4)]Cl-2 ensured a mild gradually increasing basic pH during the synthesis which caused a cleavage of the 1-N-substituent. Moreover, the changing pH controlled the pyrazolate anion-neutral ligand equilibrium, and in this way the formation of the precipitate complex. The structure of the complex was investigated by X-ray diffraction and quantum chemical computations. The complex was characterized in detail by FT-IR-spectroscopy and thermal analysis. The bonding interactions between Zn2+ and the ligands were analysed on the basis of the computed data. (c) 2007 Elsevier B.V. All rights reserved.",
journal = "Journal of Organometallic Chemistry",
title = "Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole",
volume = "692",
number = "12",
pages = "2582-2592",
doi = "10.1016/j.jorganchem.2007.03.003"
}

Kovacs, A., Meszaros Szecsenyi, K., Leovac, V. M., Tomić, Z. D.,& Pokol, G.. (2007). Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole. in Journal of Organometallic Chemistry, 692(12), 2582-2592.
https://doi.org/10.1016/j.jorganchem.2007.03.003

Kovacs A, Meszaros Szecsenyi K, Leovac VM, Tomić ZD, Pokol G. Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole. in Journal of Organometallic Chemistry. 2007;692(12):2582-2592.
doi:10.1016/j.jorganchem.2007.03.003 .

Kovacs, Attila, Meszaros Szecsenyi, Katalin, Leovac, Vukadin M., Tomić, Zoran D., Pokol, Gyoergy, "Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole" in Journal of Organometallic Chemistry, 692, no. 12 (2007):2582-2592,
https://doi.org/10.1016/j.jorganchem.2007.03.003 . .