Dinuclear NHC Gold(I) Allenyl and Propargyl Complexes: An Experimental and Theoretical Study

The synthesis and isolation of the dinuclear NHC gold­(I) allene-1,3-diyl complex Ph­(IPrAu)­CCCH­(AuIPr) and the dinuclear NHC gold­(I) propyne-1,3-diyl complex Ph­(IPrAu)­CH–CC–Au­(IPr) are presented. The monoprotodeauration reactions of these dinuclear complexes selectively led to the mononuclear organogold complexes Ph­(IPrAu)­CCCH2 and PhCH2–CC–Au­(IPr), respectively. The experimental structures and the obtained analytical data of the synthesized complexes as well as the results of a computational DFT study of their thermodynamic stability are compared systematically.