Hydrodesulfurization of thiophene and benzothiophene to butane and ethylbenzene by a homogeneous iridium complex

Article abstract of DOI:10.1021/om9610105

Reaction of the dimer [Cp*IrHCl]₂ (Cp* = η⁵-C₅Me₅) in benzene solution with either thiophene or benzothiophene at 90°C in the presence of H₂ gives the hydrogenolysis products [Cp*IrCl]₂(μ-H)(μ-SC₄H₉) (1) and [Cp*IrCl]₂(μ-H)[μ-S(C₆H₄)CH ₂CH₃] (2), respectively, in high yields. Upon further thermolysis under H₂, the completely desulfurized products, butane and ethylbenzene, can be made. Complexes 1 and 2 were characterized by single-crystal X-ray diffraction. In the absence of H₂, reaction of [Cp*Ir HCl]₂ with thiophene gives an additional trinuclear product [Cp*IrCl]₃(H)(SC₄H₆) (3), which was also structurally characterized.