Organic Chemistry

Experimental and Computational Evidence of non-MEP Pathways in the Fragmentation and Rearrangement of Bicyclo[3.3.1] heptane Diazonium Ions

Abstract

The non-minimum energy pathways on the fragmentation of bicyclic diazoniumions and subsequent carbocationic rearrangements has been studied by a combination of computational chemistry (MD simulations, IRC, stationary point analysis) and experiments (TR-IR and UV from ps to µs, NMR kinetics).

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