Theoretical comparison of the electronic structures of [PhN2]+ and [PhP2]+ - Can the benzenediphosphonium cation exist in the gas phase?

G. Pfister-Guillouzo , Anna Chrostowska (1) , Jean-Marc Sotiropoulos (2) , V.D. Romanenko

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

Ab initio quantum-chemical investigations are used to outline the main differences between the phenyldiazonium cation [PhN2]+ (1a,b) and its P analogue [PhP2]+ (2a,b). Our results show that in contrast to 1, 2b exists preferentially as a bridged structure. The phenyl ion affinity toward P2 has been determined and suggests that the phenyldiphosphonium cation should be stable in the gas phase and that it is probably accessible by reaction between P2 and Ph+.

Mots clés: Ab initio methods; Calculations; Diazonium cations; Diphosphonium cations

Domaines: Chimie inorganique; Chimie organique

G. Pfister-Guillouzo, Anna Chrostowska, Jean-Marc Sotiropoulos, V.D. Romanenko. Theoretical comparison of the electronic structures of [PhN2]+ and [PhP2]+ - Can the benzenediphosphonium cation exist in the gas phase?. European Journal of Inorganic Chemistry, 1998, 11, pp.1821--1825. ⟨hal-01566360⟩