Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands: Syntheses, magnetic properties and DFT calculations
Alexey Y. Nikiforov
1
,
Evgenii N Dubrov
2
,
Daniil O Blinou
3
,
Artem Selyutin
5
,
Ilya N. Klyukin
6
,
A. Zhdanov
6
,
Natalia S Panina
3
,
Publication type: Journal Article
Publication date: 2021-02-01
scimago Q3
wos Q2
SJR: 0.396
CiteScore: 4.9
Impact factor: 2.6
ISSN: 02775387, 18733719
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Abstract «One pot» reactions of pyrazole-based ligands Hdmpz and PyPz with in situ formed carboxylate precursors led to the formation of mono- and di-aqua-bridged binuclear compounds, as well as pentanuclear hydroxo-bridged compound: [Ni2(μ2-OH2)(μ-O2CC(CH3)3)2(O2CC(CH3)3)2(PyPz)2] 1, [Ni5(μ3-OH)2(μ-O2CPh)8(PyPz)4].4.73MeCN 2, [Ni2(μ-OH2)(μ-O2CPh)2(O2CPh)2(Hdmpz)4] 3, [Ni2(μ-OH2)2(μ-O2CPh)(O2CPh)2(Hdmpz)4](O2CPh)∙2.5H2O 4 (Hdmpz = 3,5-dimethylpyrazole, PyPz = 2-(5-Methyl-1H-pyrazol-3-yl)pyridine). Compounds were characterized by structural and spectral methods, thermogravimetric analysis and magnetic measurements were also performed. It was noted, that structural motif of forming compounds are determined by the structure of carboxylate precursors formed in situ and properties of N-ligands. Comparison of magnetic measurements data, structural data, and DFT calculations allows us to conclude that in the case of investigated compounds the equilibrium between spin isomers with different multiplicities, close energy values and close geometrical structure can be realized.
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Nikiforov A. Y. et al. Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands: Syntheses, magnetic properties and DFT calculations // Polyhedron. 2021. Vol. 195. p. 114971.
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Nikiforov A. Y., Dubrov E. N., Blinou D. O., Gurzhiy V. V., Selyutin A., Klyukin I. N., Zhdanov A., Panina N. S., Eremin A. V. Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands: Syntheses, magnetic properties and DFT calculations // Polyhedron. 2021. Vol. 195. p. 114971.
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TY - JOUR
DO - 10.1016/j.poly.2020.114971
UR - https://doi.org/10.1016/j.poly.2020.114971
TI - Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands: Syntheses, magnetic properties and DFT calculations
T2 - Polyhedron
AU - Nikiforov, Alexey Y.
AU - Dubrov, Evgenii N
AU - Blinou, Daniil O
AU - Gurzhiy, Vladislav V.
AU - Selyutin, Artem
AU - Klyukin, Ilya N.
AU - Zhdanov, A.
AU - Panina, Natalia S
AU - Eremin, Alexei V
PY - 2021
DA - 2021/02/01
PB - Elsevier
SP - 114971
VL - 195
SN - 0277-5387
SN - 1873-3719
ER -
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@article{2021_Nikiforov,
author = {Alexey Y. Nikiforov and Evgenii N Dubrov and Daniil O Blinou and Vladislav V. Gurzhiy and Artem Selyutin and Ilya N. Klyukin and A. Zhdanov and Natalia S Panina and Alexei V Eremin},
title = {Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands: Syntheses, magnetic properties and DFT calculations},
journal = {Polyhedron},
year = {2021},
volume = {195},
publisher = {Elsevier},
month = {feb},
url = {https://doi.org/10.1016/j.poly.2020.114971},
pages = {114971},
doi = {10.1016/j.poly.2020.114971}
}