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

24 February 2021, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

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).

Keywords

non-MEP, TRIR, TRUV, MD, IRC,carbocations

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Version History

Feb 24, 2021 Version 1

Version Notes

Version 1 uploaded

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.14095649.v1
D O I: 10.26434/chemrxiv.14095649.v1 [opens in a new tab]

Funding

DFG funded via an Emmy-Noether stipend RE3630/1

Author’s competing interest statement

No conflict of interest to be declared.

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