Theoretical and Experimental Study of Complex Ions from Reactions of Al+ (Cu+) with Amine Molecules

Abstract

AbstractThe gas phase reactions of metal ions (Al+, Cu+) with amine molecules [CH3NH2=MA, (CH3)2NH=DMA] were investigated using a laser ablation‐molecular beam method. The directly associated product complex ions,Al+‐MA and Al+‐DMA, and the dehydrogenation product ions, Cu+(CH2NH) and Cu+(C2H5N), as well as hydrated ion Cu+(NC2H5·H2O), have been obtained and recorded from the reactions of the metal ions and organic amine molecules, and density functional theory (B3LYP) calculations have been performed to reveal the optimized geometry, energetics, and reaction mechanism of the title reactions with basis set 6‐311+G(d,p) adopted.