Role of the 2,6-Bis(trifluoromethyl)phenyl Group on the Acidity of the Corresponding Phosphane

Karinne Miqueu (1) , Jean-Marc Sotiropoulos (2) , G. Pfister-Guillouzo , V. Rudzevich , V. Romanenko , G. Bertrand (3)

1 IPREM - Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux
2 IPREM - Institut pluridisciplinaire de recherche sur l'environnement et les matériaux
3 LHFA - Laboratoire Hétérochimie Fondamentale et Appliquée

The proton affinities of PhPH- (1) and ArfPH - (2) were calculated using the B3LYP hybrid functional and the 6-31+G(d,p) basis set. For both anions a net difference was observed. The study of the structural and electronic properties of the anionic species and the corresponding phosphanes PhPH2 (3) and ArfPH2 (4) allowed us to unsderstand this results and point out the specific role of the 2,6-bis(trifluoromethyl)phenyl (Arf) substituent. © Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004.

Domaines: Catalyse; Chimie de coordination; Chimie organique; Polymères; Chimie théorique et/ou physique

Karinne Miqueu, Jean-Marc Sotiropoulos, G. Pfister-Guillouzo, V. Rudzevich, V. Romanenko, et al.. Role of the 2,6-Bis(trifluoromethyl)phenyl Group on the Acidity of the Corresponding Phosphane. European Journal of Inorganic Chemistry, 2004, 2, pp.381-387. ⟨hal-01613263⟩