Reaction of 2,4,6-triazido-1,3,5-triazine with triphenylphosphane. syntheses and characterization of the novel 2-triphenylphosphanimino-4-azidotetrazolo[5,1-a]-[1,3,5]triazine and 2,4,6,-tris(triphenylphosphanimino)-1,3,5-triazine.

摘要: 2-Triphenylphosphanimino-4-azidotetrazolo[5,1-a]-[1,3,5]triazine (6) was obtained by reaction of 2,4,6-triazido-1,3,5-triazine (1) with 1 equiv triphenylphosphane. Raman and X-ray data revealed that only one azide group formed a tetrazole ring system whereas the second did not undergo closure. To investigate equilibrium between isomer open-chain structure for these related species, (31)P NMR studies were carried out. The spectra displayed an isomers. 2,4,6-Tris(triphenylphosphanimino)-1,3,5-triazine (4) prepared treatment 3 triphenylphosphane, its is discussed. On basis PM3 semiempirical density functional calculations, triphenylphosphane studied. thermodynamics different isomerization reactions activation barriers to cyclization estimated.