Étude quantique comparée de la protonation et de la complexation par BH3 de l'hexadiméthylaminocyclo-triphosphazène, N3P3(NMe2)6

Abstract

The effects of protonation and of BH₃ complexation on the highly basic cyclophosphazene N₃P₃(NMe₂)₆ are investigated within the framework of the CNDO/2 approximation. A noticeable diminution of the electronic density occurs into (PNP) Dewar islands supporting experimental evidence provided by X-ray diffraction and the Faraday effect.