The reaction of [Cp*IrCl2]2 with 2-methyl-1-butene-3-yne: Formation of a η3-tetraenyl transition metal complex

•[Cp*IrCl2]2 reacts with a conjugated enyne to form a complex containing a η3-tetraenyl ligand.•Head-to-head coupling of the alkyne functionality of two enynes.•Combined experimental and computational study of reaction pathway.

Reaction of the dimeric species [Cp*IrCl2]2 with 2-methyl-1-butene-3-yne results in C–C bond formation between two alkyne molecules and their coordination to an iridium center to form a complex containing a η3-tetraenyl ligand. The reaction pathway has been studied experimentally and computationally.

Graphical abstractThe reaction of [Cp*IrCl2]2 with 2-methyl-1-butene-3-yne results in the formation of a complex containing a η3-tetraenyl ligand, resulting from the head-to-head C–C coupling between the alkyne functionalities of two conjugated enyne molecules Figure optionsDownload full-size imageDownload as PowerPoint slide