1083406-69-2Relevant academic research and scientific papers
Hydrogen-mediated metal-carbon to metal-boron bond conversion in metal-carboranyl complexes
Liu, Dongmei,Dang, Li,Sun, Yi,Chan, Hoi-Shan,Lin, Zhenyang,Xie, Zuowei
, p. 16103 - 16110 (2009/05/11)
A hydrogen-mediated Ru-C to Ru-B bond conversion was observed experimentally and supported by the theoretical calculations. Treatment of [η5:σc-Me2C(C5H 4)(C2B10H10)]Ru(COD) (1) bearing a Ru-C(cage) σ bond with PR3 in the presence of H2 gave Ru-B(cage) bonded complexes [η5:σB-Me 2C(C5H4)(C2B10H 10)]RuH2(PR3) (R = Cy (2), Ph (3)) (σc: Ru-C(cage) σ bond; σB: Ru-B(cage) σ bond). Complex 3 was converted to [η5: σB-Me2C(C5H4)(C 2B10H10)]Pu(L2) in the presence of L2 (L2 = dPPe (4), PPh3/P(OEt)3 (5), PPh3/pyridine (6)) via liberation of H2 upon heating. These complexes were fully characterized by various spectroscopic techniques, elemental analyses, and single-crystal X-ray diffraction studies. DFT calculations show that this conversion process is both kinetically and thermodynamically favorable and requires involvement of a hydride ligand.
