Formation of grignard reagent-like complex [CH3MI]1 via oxidative addition of CH3I on coinage metal anions M1 (M = Cu, Ag, Au) in the Gas Phase

Abstract

Gas-phase reactions of coinage metal anions M1 (M = Cu, Ag, Au) with methyl iodide (CH3I) yielded the adduct product MCH3I1. Photoelectron spectroscopy and density functional theory (DFT) calculations revealed a Grignard reagent-like structure [CH3MI]1 regardless of M. Global reaction route mapping clarified that [CH3MI]1 is formed in a highly exothermic process via SN2 attack by M1 on CH3I followed by I1 migration to M.