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