CO, CO2 and CS2 activation by divalent ytterbium hydrido complexes

Abstract

Treatment of a divalent ytterbium hydride complex [(Tp^Ad,iPr)Yb(H)(THF)] (Tp^Ad,iPr = hydrotris(3-adamantyl-5-isopropyl-pyrazolyl)borate) (1) with CO, CO₂ and CS₂ resulted in the formation of a divalent ytterbium ethenediolate complex [(Tp^Ad,iPr)Yb]₂(cis-OCHCHO) (2), a formate complex [(Tp^Ad,iPr)Yb(κ²-O₂CH)(THF)] (3), and a trivalent ytterbium ethenetetrathiolate complex [(Tp^Ad,iPr)Yb^III]₂(C₂S₄) (4), respectively. DFT calculations were carried out to elucidate the reaction profiles of complexes 3 and 4.