Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands

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Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands : Syntheses, magnetic properties and DFT calculations. / Nikiforov, Alexey A.; Dubrov, Evgenii N.; Blinou, Daniil O.; Gurzhiy, Vladislav V.; Selyutin, Artem A.; Klyukin, Ilya N.; Zhdanov, Andrey P.; Minkovich, Alexander E.; Panina, Natalia S.; Eremin, Alexei V.

In: Polyhedron, Vol. 195, 114971, 01.02.2021.

Research output: Contribution to journal › Article › peer-review

Author

Nikiforov, Alexey A. ; Dubrov, Evgenii N. ; Blinou, Daniil O. ; Gurzhiy, Vladislav V. ; Selyutin, Artem A. ; Klyukin, Ilya N. ; Zhdanov, Andrey P. ; Minkovich, Alexander E. ; Panina, Natalia S. ; Eremin, Alexei V. / Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands : Syntheses, magnetic properties and DFT calculations. In: Polyhedron. 2021 ; Vol. 195.

BibTeX

@article{0e6114212d8b4dd397cf9c82877e2c7f,

title = "Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands: Syntheses, magnetic properties and DFT calculations",

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(μ-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.",

keywords = "Magnetic properties, Mass spectrometry, Nickel, Quantum chemistry, X-ray diffraction",

author = "Nikiforov, {Alexey A.} and Dubrov, {Evgenii N.} and Blinou, {Daniil O.} and Gurzhiy, {Vladislav V.} and Selyutin, {Artem A.} and Klyukin, {Ilya N.} and Zhdanov, {Andrey P.} and Minkovich, {Alexander E.} and Panina, {Natalia S.} and Eremin, {Alexei V.}",

note = "Publisher Copyright: {\textcopyright} 2020 Elsevier Ltd",

year = "2021",

month = feb,

day = "1",

doi = "10.1016/j.poly.2020.114971",

language = "English",

volume = "195",

journal = "Polyhedron",

issn = "0277-5387",

publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands

T2 - Syntheses, magnetic properties and DFT calculations

AU - Nikiforov, Alexey A.

AU - Dubrov, Evgenii N.

AU - Blinou, Daniil O.

AU - Gurzhiy, Vladislav V.

AU - Selyutin, Artem A.

AU - Klyukin, Ilya N.

AU - Zhdanov, Andrey P.

AU - Minkovich, Alexander E.

AU - Panina, Natalia S.

AU - Eremin, Alexei V.

PY - 2021/2/1

Y1 - 2021/2/1

N2 - «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(μ-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.

AB - «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(μ-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.

KW - Magnetic properties

KW - Mass spectrometry

KW - Nickel

KW - Quantum chemistry

KW - X-ray diffraction

UR - http://www.scopus.com/inward/record.url?scp=85098488589&partnerID=8YFLogxK

U2 - 10.1016/j.poly.2020.114971

DO - 10.1016/j.poly.2020.114971

M3 - Article

AN - SCOPUS:85098488589

VL - 195

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

M1 - 114971

ER -

ID: 73344482