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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
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 computation...s. (C) 2009 Elsevier Ltd. All rights reserved.
Ministry of Science and Technological Development of the Republic of Serbia [142028], Provincial Secretariat for Science and Technological Development of Vojvodina
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 . .
