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

Abstract

A series of pentanuclear gold(i)-copper(i) and -silver(i) mixed-metal alkynyl complexes, [nBu4N][Au3M 2(C≡CC6H4R-p)6] [M = Cu, R = OMe, OnBu, OnHex, Me, Et; M = Ag, R = Et, O nHex] 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(C≡CC 6H4Me-p)6]- (M = Cu, Ag) to provide an understanding on the electronic structure of the complexes. © The Royal Society of Chemistry and Owner Societies.