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À propos de : DFT-Based Mechanism for the Unexpected Formation of Dienes inthe PtCl2 Isomerization of Propargylic Acetates: Examples ofInhibition of the Rautenstrauch Process        

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  • DFT-Based Mechanism for the Unexpected Formation of Dienes inthe PtCl2 Isomerization of Propargylic Acetates: Examples ofInhibition of the Rautenstrauch Process
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  • The reactivity of the Pt(II)-mediated processes of unsaturated compounds strongly depends on the substratestructure, and the catalytic activation process may follow different reaction paths, such as skeletalrearrangements, cyclizations, and isomerizations. Herein, we analyze and report the striking effect of anester group as an alkyne substituent on the reactivity of propargylic enynes, which has been shown toinhibit the expected Rautenstrauch process. The computed results agree with experimental evidence andprovide a comprehensible rationalization.
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