Facile Method of Halogen Exchange between Au(Cl)(L) and MeC(O)X (L = PPh₃ and IPr; X = Br and I) via σ-Bond Metathesis Supported by DFT Calculation

Abstract

Complexes with the formula Au(X)(L) (X = Br and I; L = PPh₃ and IPr) were conveniently prepared by a quite simple procedure using the treatment of Au(Cl)(L) with MeC(O)X and the subsequent evaporation under reduced pressure. The mechanistic study by DFT calculation with M06 functional supported that the reaction proceeded through σ-bond metathesis, where Cl atom underwent a more roundabout course than Br atom did.