Aryldiazenido complexes of ruthenium(II) with tris(pyrazolyl)borate: A DFT study

Aryldiazenido complexes of ruthenium(II) with tris(1-pyrazolyl)borate as ancillary ligand of the kind [Ru(Ntriple bond; length of mdashNAr)(Tp)P′P″](BF4)2 [Tp = hydrotris(pyrazol-1-yl)borate; P′P″ = (PPh3){P(OEt)3}, (PPh3){PPh(OEt)2}, {P(OEt)3}2; Ar = C6H5, 4-CH3C6H4] have recently been reported. The exceptionally high values of ν(NN) stretching in infrared spectra indicate a near-linear [Ru]–Ntriple bond; length of mdashN–Ar group. Further support to this hypothesis and information about the structural and electronic properties of these complexes were obtained by DFT B3LYP calculations.