TY  - JOUR
AU  - Kovacs, A
AU  - Nemcsok, D
AU  - Pokol, G
AU  - Szecsenyi, KM
AU  - Leovac, Vukadin M.
AU  - Jacimovic, ZK
AU  - Radosavjević Evans, Ivana
AU  - Howard, JAK
AU  - Tomić, Zoran D.
AU  - Giester, Gerald
PY  - 2005
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2895
AB  - In the present paper we report the synthesis as well as the structural and vibrational characterisation of the HgL2Cl2 complex ( L = 3,5-dimethyl-1-thiocarboxamide). The crystal and molecular structures of both L and the HgL2Cl2 complex were determined by single-crystal X-ray diffraction. The coordination propensity of L to HgCl2 was explored by quantum chemical calculations. We found the preference of the monodentate coordination of L to HgCl2 through the sulfur atom ( instead of the pyridine nitrogen) to be in agreement with Pearsons acid - base character of the atoms involved and the steric effects. The vibrational properties of HgL2Cl2 were evaluated by a joint FT-IR and quantum chemical analysis. In addition, the thermal decomposition of the complex and ligand is reported.
T2  - New Journal of Chemistry
T1  - Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L
VL  - 29
IS  - 6
SP  - 833
EP  - 840
DO  - 10.1039/b416816j
ER  - 

@article{
author = "Kovacs, A and Nemcsok, D and Pokol, G and Szecsenyi, KM and Leovac, Vukadin M. and Jacimovic, ZK and Radosavjević Evans, Ivana and Howard, JAK and Tomić, Zoran D. and Giester, Gerald",
year = "2005",
abstract = "In the present paper we report the synthesis as well as the structural and vibrational characterisation of the HgL2Cl2 complex ( L = 3,5-dimethyl-1-thiocarboxamide). The crystal and molecular structures of both L and the HgL2Cl2 complex were determined by single-crystal X-ray diffraction. The coordination propensity of L to HgCl2 was explored by quantum chemical calculations. We found the preference of the monodentate coordination of L to HgCl2 through the sulfur atom ( instead of the pyridine nitrogen) to be in agreement with Pearsons acid - base character of the atoms involved and the steric effects. The vibrational properties of HgL2Cl2 were evaluated by a joint FT-IR and quantum chemical analysis. In addition, the thermal decomposition of the complex and ligand is reported.",
journal = "New Journal of Chemistry",
title = "Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L",
volume = "29",
number = "6",
pages = "833-840",
doi = "10.1039/b416816j"
}

Kovacs, A., Nemcsok, D., Pokol, G., Szecsenyi, K., Leovac, V. M., Jacimovic, Z., Radosavjević Evans, I., Howard, J., Tomić, Z. D.,& Giester, G.. (2005). Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L. in New Journal of Chemistry, 29(6), 833-840.
https://doi.org/10.1039/b416816j

Kovacs A, Nemcsok D, Pokol G, Szecsenyi K, Leovac VM, Jacimovic Z, Radosavjević Evans I, Howard J, Tomić ZD, Giester G. Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L. in New Journal of Chemistry. 2005;29(6):833-840.
doi:10.1039/b416816j .

Kovacs, A, Nemcsok, D, Pokol, G, Szecsenyi, KM, Leovac, Vukadin M., Jacimovic, ZK, Radosavjević Evans, Ivana, Howard, JAK, Tomić, Zoran D., Giester, Gerald, "Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L" in New Journal of Chemistry, 29, no. 6 (2005):833-840,
https://doi.org/10.1039/b416816j . .

TY  - JOUR
AU  - Szecsenyi, KM
AU  - Leovac, Vukadin M.
AU  - Češljević, Valerija I.
AU  - Kovacs, A
AU  - Pokol, G
AU  - Argay, G
AU  - Kalman, A
AU  - Bogdanović, Goran A.
AU  - Jacimovic, ZK
AU  - Spasojević-de Bire, Anne
PY  - 2003
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2672
AB  - Complex formation of copper(II) bromide and acetate with 1-carboxamide-3,5-dimethylpyrazole (HL3) and copper(II) bromide with 5-amino-4-carboxamide-1-phenylpyrazole (L-2), 4-acetyl-3-amino-5-methylpyrazole (HL4) and 1-carboxamidine-3,5-dimethylpyrazole (HL5), was studied. The obtained compounds, CuBr2(L-2)(2), Cu(L-3)(2), CuBr2(HL4)(2), CuBr2(HL5)(2) and [CuBr(HL1)(L-3)](2) (HL1 denotes the 3,5-dimethylpyrazole), are characterized by elemental analysis, FT-IR spectrometry, molar conductivity, TG-MS and DSC. The X-ray structure of [CuBr(HL1)(L-3)](2) and Cu(L-3)(2) is discussed. For [CuBr(HL1)(L-3)](2) a dimeric penta-co-ordinated structure has been found; the co-ordination around the metal in Cu(L-3)(2) is trans-square planar. To CuBr2(L-2)(2) and CuBr2(HL4)(2) a nearly tetrahedral, while for CuBr2(HL5)(2) an octahedral geometry may be assumed. It means that the geometry of the compounds in the first place depends on the ligand substituents. The course of the complex formation reaction is anion-dependent and may be explained on the basis of Pearsons theory, taking into account the steric factors. A low stability intermediate formation was observed in the thermal decomposition of Cu(L-3)(2). (C) 2003 Elsevier B.V. All rights reserved.
T2  - Inorganica Chimica Acta
T1  - Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole
VL  - 353
SP  - 253
EP  - 262
DO  - 10.1016/S0020-1693(03)00231-7
ER  - 

@article{
author = "Szecsenyi, KM and Leovac, Vukadin M. and Češljević, Valerija I. and Kovacs, A and Pokol, G and Argay, G and Kalman, A and Bogdanović, Goran A. and Jacimovic, ZK and Spasojević-de Bire, Anne",
year = "2003",
abstract = "Complex formation of copper(II) bromide and acetate with 1-carboxamide-3,5-dimethylpyrazole (HL3) and copper(II) bromide with 5-amino-4-carboxamide-1-phenylpyrazole (L-2), 4-acetyl-3-amino-5-methylpyrazole (HL4) and 1-carboxamidine-3,5-dimethylpyrazole (HL5), was studied. The obtained compounds, CuBr2(L-2)(2), Cu(L-3)(2), CuBr2(HL4)(2), CuBr2(HL5)(2) and [CuBr(HL1)(L-3)](2) (HL1 denotes the 3,5-dimethylpyrazole), are characterized by elemental analysis, FT-IR spectrometry, molar conductivity, TG-MS and DSC. The X-ray structure of [CuBr(HL1)(L-3)](2) and Cu(L-3)(2) is discussed. For [CuBr(HL1)(L-3)](2) a dimeric penta-co-ordinated structure has been found; the co-ordination around the metal in Cu(L-3)(2) is trans-square planar. To CuBr2(L-2)(2) and CuBr2(HL4)(2) a nearly tetrahedral, while for CuBr2(HL5)(2) an octahedral geometry may be assumed. It means that the geometry of the compounds in the first place depends on the ligand substituents. The course of the complex formation reaction is anion-dependent and may be explained on the basis of Pearsons theory, taking into account the steric factors. A low stability intermediate formation was observed in the thermal decomposition of Cu(L-3)(2). (C) 2003 Elsevier B.V. All rights reserved.",
journal = "Inorganica Chimica Acta",
title = "Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole",
volume = "353",
pages = "253-262",
doi = "10.1016/S0020-1693(03)00231-7"
}

Szecsenyi, K., Leovac, V. M., Češljević, V. I., Kovacs, A., Pokol, G., Argay, G., Kalman, A., Bogdanović, G. A., Jacimovic, Z.,& Spasojević-de Bire, A.. (2003). Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole. in Inorganica Chimica Acta, 353, 253-262.
https://doi.org/10.1016/S0020-1693(03)00231-7

Szecsenyi K, Leovac VM, Češljević VI, Kovacs A, Pokol G, Argay G, Kalman A, Bogdanović GA, Jacimovic Z, Spasojević-de Bire A. Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole. in Inorganica Chimica Acta. 2003;353:253-262.
doi:10.1016/S0020-1693(03)00231-7 .

Szecsenyi, KM, Leovac, Vukadin M., Češljević, Valerija I., Kovacs, A, Pokol, G, Argay, G, Kalman, A, Bogdanović, Goran A., Jacimovic, ZK, Spasojević-de Bire, Anne, "Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole" in Inorganica Chimica Acta, 353 (2003):253-262,
https://doi.org/10.1016/S0020-1693(03)00231-7 . .