doi:10.1002/chem.201605655engBaya, MiguelPérez-Bitrián, AlbertoMartínez-Salvador, SoniaCasas, José MaríaMenjón, BabilOrduna, JesúsGold(I) Fluorohalides: Theory and ExperimentART-2017-97350The anionic trifluoromethylgold(I) derivatives [CF3AuX]−, 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.2017http://zaguan.unizar.es/record/10737710.1002/chem.201605655http://zaguan.unizar.es/record/107377oai:zaguan.unizar.es:107377info:eu-repo/grantAgreement/ES/DGA/E21info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-67461-PChemistry - A European Journal 23, 7 (2017), 1512-1515All rights reservedhttp://www.europeana.eu/rights/rr-f/info:eu-repo/semantics/openAccess