Gold(I) Fluorohalides: Theory and Experiment

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• 作者：Dr. Miguel Baya ; Alberto P&eacute ; rez-Bitriá ; n ; Dr. Sonia Martí ; nez-Salvador ; Dr. Jos&eacute ; M. Casas ; Dr. Babil Menjó ; n and Dr. Jesú ; s Orduna
• 刊名：Chemistry - A European Journal
• 出版年：2017
• 出版时间：January 31, 2017
• 年：2017
• 卷：23
• 期：7
• 页码：1512-1515
• 全文大小：596K
• ISSN：1521-3765

文摘

The 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.