Tris-phenyl substituted tris(pyrazolyl)methane: Victim of a novel rearrangement in a cobalt(II) complex

• Published in: Inorganic chemistry communications 2012-08, Vol.22, p.154-157
• Main Authors: Hoffmann, A., Flörke, U., Herres-Pawlis, S.
• Format: Article
• Language: English
• Subjects: Cobalt; Density functional theory; Rearrangement; Tris(pyrazolyl)methane; X-ray diffraction
• ISSN: 1387-7003; 1879-0259
• DOI: 10.1016/j.inoche.2012.05.049

The bisfacial cobalt(II) complex [(HC(3-Phpz)2(5-Phpz))2Co][BF4]2 (1) was prepared by reaction of the tris(pyrazolyl)methane HC(3-Phpz)3 with Co(BF4)2·6H2O. A remarkable ligand rearrangement reaction occurs resulting in incorporation of the new ligand HC(3-Phpz)2(5-Phpz). Complex 1 was characterised by X-ray crystallography, mass spectrometry, IR spectroscopy and elemental analysis. DFT studies on both ligands as well as on complex 1 complement the experimental investigation. The bisfacial cobalt(II) complex [(HC(3-Phpz)2(5-Phpz))2Co][BF4]2 was prepared by reaction of the tris(pyrazolyl)methane HC(3-Phpz)3 with Co(BF4)2·6H2O. A remarkable ligand rearrangement reaction occurs resulting in incorporation of the new ligand HC(3-Phpz)2(5-Phpz). [Display omitted] ► Novel bisfacial cobalt(II) complex [(HC(3-Phpz)2(5-Phpz))2Co][BF4]2 was prepared and structurally characterised. ► Ligand HC(3-Phpz)3 undergoes rearrangement reaction resulting in formation of the new ligand HC(3-Phpz)2(5-Phpz). ► First rearrangement was observed for tris(pyrazolyl)methanes. ► DFT study shows stability of rearranged ligand in the cobalt(II) complex.