Abstract

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 SX2 reactions, X = N or E, where the attacking and leaving molecules are the same: H3N, H3B, H3C(–) and the central molecules are H3B (SN2@B), H3N (SE2) or H3C (SN2@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.

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