Catalytic decarboxylative coupling of allyl acetate: Role of the metal centers in the organometallic cluster cations [CH3Cu 2] , [CH3AgCu] , and [CH 3Ag2]

Abstract

Metal-catalyzed decarboxylative coupling reactions offer new opportunities for formation of C-C bonds. Here, multistage ion trap mass spectrometry experiments together with DFT calculations are used to examine the role of the metal centers in coinage metal cluster catalyzed decarboxylative coupling of allyl acetate in the gas phase via a simple two-step catalytic cycle. In step 1, the metal acetate cluster cation [CH3CO2Cu 2]+, [CH3CO2AgCu]+, or [CH3CO2Ag2]+ is subjected to collision-induced dissociation to yield the organometallic cluster cation [CH3Cu2]+, [CH3AgCu]+, or [CH3Ag2]+, respectively. Step 2 involves subjecting these organometallic cluster cations to ion-molecule reactions with a..