Gold(I) Fluorohalides: Theory and Experiment

This is the authors' abstract. We don't add key points for this paper.

The anionic trifluoromethylgold(I) derivatives [CF₃ AuX]⁻ , which have been prepared and isolated as their [PPh₄ ]⁺ salts in good yield, undergo thermally induced difluorocarbene extrusion in the gas phase, giving rise to the mixed gold(I) fluorohalide complexes [F-Au-X]⁻ (X=Cl, Br, I). These triatomic species have been detected by tandem mass spectrometry (MS2) experiments and their properties have been analyzed by DFT methods. The CF₂ extrusion mechanism from the Au-CF₃ moiety serves as a model for the CF₂ insertion into the Au-F bond, since both reactivity channels are connected by the microreversibility principle.