Pyrazole cleavage of tris(3,5-dimethylpyrazolyl)borate with Ruthenium(II) complexes: Synthesis, structural characterization and DFT studies

Abstract

The reaction of [Ru(H)(Cl)(CO)(PPh3)3] (1) with KTp* (KTp* = Potassium tris(3,5-dimethylpyrazolyl)borate) in a refluxing toluene yields a mixture of [RuTp*(H)(CO)(PPh3)] (2), [Ru(H)(Cl)(pz*H)(CO)(PPh3)2] (3), and [H(pz*)B(μ-pz*)2B(pz*)H] (4) (pz*H = 3,5-dimethylpyrazole). The products (3) and (4) were obtained by the degradation of the scorpionate ligand, Tp*. These complexes were characterised by IR, 1H NMR, UV, X-ray crystallography and DFT calculations.