DOI

«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.

Original languageEnglish
Article number114971
Number of pages12
JournalPolyhedron
Volume195
DOIs
StatePublished - 1 Feb 2021

    Research areas

  • Magnetic properties, Mass spectrometry, Nickel, Quantum chemistry, X-ray diffraction

    Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

ID: 73344482