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

Abstract The ionization of allyl bromide-ammonia clusters produced in a supersonic expansion leads to an intracluster nucleophilic substitution reaction: C 3 H 5 Br + − NH 3 → C 3 H 5 NH 3 + + Br. Larger clusters also react leading to ammonia solvated C 3 H 5 NH 3 + 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.