A deeper computational look at Mumm rearrangement: Evaluation of substituent, solvent, and temperature effects,Journal of Physical Organic Chemistry

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A deeper computational look at Mumm rearrangement: Evaluation of substituent, solvent, and temperature effects
Journal of Physical Organic Chemistry ( IF 1.9 ) Pub Date : 2020-07-08 , DOI: 10.1002/poc.4106
Morteza Rouhani ₁

Affiliation

The effect of substitution, solvent, and temperature on Mumm rearrangement has been investigated using density functional theory (DFT). A potential energy surface (PES) profiles of transition state (TS) is demonstrated to illustrate the alteration of ΔG^‡ of Mumm rearrangements for various substitutions. The possible reasons have been studied for the impressive conditions needed for Mumm rearrangement.

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