These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
Experimental and Computational Evidence of non-MEP Pathways in the Fragmentation and Rearrangement of Bicyclo[3.3.1] heptane Diazonium Ions
preprintsubmitted on 23.02.2021, 09:34 and posted on 24.02.2021, 11:14 by Bastian Wulff, Patrick Sakrausky, Katrin Adamczyk, Nils Huse, Julia Rehbein
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).