Gold(I) Fluorohalides: Theory and Experiment

Baya, Miguel (Universidad de Zaragoza) ; Pérez-Bitrián, Alberto (Universidad de Zaragoza) ; Martínez-Salvador, Sonia ; Casas, José María (Universidad de Zaragoza) ; Menjón, Babil ; Orduna, Jesús (Universidad de Zaragoza)

Resumen: 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.

Idioma: Inglés

DOI: 10.1002/chem.201605655

Año: 2017

Publicado en: Chemistry - A European Journal 23, 7 (2017), 1512-1515
ISSN: 0947-6539

Factor impacto JCR: 5.16 (2017)

Categ. JCR: CHEMISTRY, MULTIDISCIPLINARY rank: 37 / 171 = 0.216 (2017) - Q1 - T1

Factor impacto SCIMAGO: 2.265 - Chemistry (miscellaneous) (Q1)

Financiación: info:eu-repo/grantAgreement/ES/DGA/E21
Financiación: info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-67461-P

Tipo y forma: Comunicación congreso (Versión definitiva)

Área (Departamento): Área Química Inorgánica (Dpto. Química Inorgánica)
Área (Departamento): Área Química Orgánica (Dpto. Química Orgánica)