DOI: 10.1016/j.cplett.2022.140051 (OpenAccess)

The reciprocal S_N2 and S_E2 reactions of ammonia borane

The reactions here explored are microscopic analogs of Newton cradle: left thing attack, right thing leaves and central thing remains unaffected. We have studied symmetric S_X2 reactions, X  = N or E, where the attacking and leaving molecules are the same: H₃N, H₃B, H₃C(–) and the central molecules are H₃B (S_N2@B), H₃N (S_E2) or H₃C (S_N2@C). Non-symmetric reactions with different initial and final complexes were also studied and examples where the elements of the lateral molecules differ, P vs N.

Graphical Abstract designed by Iñigo Irribarren