Bond activation studies with pentacyclopentadienyl iridium complexes

Abstract

The reaction of Cp*Ir(CO)2 with pentafluorobenzonitrile under different reaction conditions afford four new complexes, [Cp*Ir(?-CO)(C6F4CN)]2, [Cp*Ir(CO)(C6F4CN)]2, Cp*Ir(CO)(C6F4CN)2, and Cp*Ir(CO)(C6F4CN)(C(OH)(NH2)(C6F5)). The reaction pathways to their formation were proposed based on experimental and computational studies. The reaction pathways to C-C bond formation products via the reactions of [Cp*IrCl2]2 with C=O and C=C conjugated alkynes were investigated experimentally and computationally. It was proposed that an alkyne insertion into an Ir-Cl bond in their reaction pathways resulted in their formation, as opposed to the formation of a vinylidene intermediate which leads to C=C cleavage products as reported for the reaction of [Cp*IrCl2]2 with non-conjugated alkynes.