Intracluster ion-molecule reactions induced by the synchrotron radiation in allyl bromide-ammonia clusters Original Research Article

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.