2020
DOI: 10.2174/1570178617666200224103813
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Computational Study on the Kinetics and Mechanisms of Unimolecular Reactions of (Z)-(Z)-N-(λ5-phosphanylidene) Formohydrazonic Formic Anhydride: Intramolecular aza-Wittig Reaction in Competition with Mumm Rearrangement

Abstract: : For (Z)-(Z)-N-(λ5-phosphanylidene) formohydrazonic formic anhydride Aza-Wittig reaction and Mumm rearrangement are studied using both density functional and coupled cluster theories. For this propose, two different products starting from one substrate are considered that are competing with each other. The obtained products, P1 and P2, are thermodynamically favorable. The product of the aza-Wittig reaction, P1, is more stable than the product of Mumm rearrangement (P2). For the mentioned products, just one re… Show more

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