Intramolecular Cycloaddition in the (Diyne)iridium Complexes [Cp*Ir(CO)(η2-ArC≡CC≡CAr)]: An Experimental and Computational Study

The diyne complex [Cp*Ir(CO)(η²-ArC≡CC≡CAr)] reacts with two-electron donor ligands to form the iridacyclobutenone [Cp*Ir(L){C(C≡CAr)=C(Ar)C=O}]. Kinetic measurements and computational studies support the proposal that the reaction pathway involves alkyne insertion followed by coordination of the two-electron donor ligand.

The diyne species [Cp*Ir(CO)(η²-ArC≡CC≡CAr)] undergoes intramolecular cycloaddition in the presence of two-electron donor ligands to afford iridacyclobutenone complexes. Kinetic measurements and a computational study suggest that the reaction proceeds through an alkyne insertion reaction followed by rate-limiting ligand association.

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