Author/Authors :
C. Dedonder-Lardeux، نويسنده , , C. Jouvet، نويسنده , , S. Martrenchard-Barra، نويسنده , , D. Solgadi، نويسنده , , F. Talbot، نويسنده , , M. Vervloet، نويسنده , , I. Dimicoli، نويسنده , , M. Richard-Viard، نويسنده ,
Abstract :
The ionization of allyl bromide-ammonia clusters produced in a supersonic expansion leads to an intracluster nucleophilic substitution reaction: C3H5Br+ − NH3 → C3H5NH3+ + Br. Larger clusters also react leading to ammonia solvated C3H5NH3+ clusters. The geometries of the complexes and the energetics of the different reactive channels have been computed through ab initio calculations. A barrier to the reaction is evidenced.