Synthesis, structure and luminescence studies of heterometallic gold(I)–copper(I) and –silver(I) alkynyl clusters/aggregates

A series of pentanuclear gold(I)–copper(I) and –silver(I) mixed-metal alkynyl complexes, [nBu4N][Au3M2(CCC6H4R-p)6] [M = Cu, R = OMe, OnBu, OnHex, Me, Et; M = Ag, R = Et, OnHex] have been synthesized. The complexes were found to be emissive both in the solid state and in fluid solutions. DFT calculations at the B3LYP level of theory were performed on [Au3M2(CCC6H4Me-p)6]− (M = Cu, Ag) to provide an understanding on the electronic structure of the complexes.