2023
DOI: 10.1002/poc.4588
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Insight into acrolein activation by P/B intramolecular frustrated Lewis pairs

Swapan Sinha,
Subhra Das,
Santanab Giri

Abstract: The study investigates the reactivity of a cyclic five‐membered intramolecular P/B frustrated Lewis pair towards acrolein through a cycloaddition reaction. Intrinsic reaction coordinate (IRC) calculations suggest the single‐step mechanism. It has been observed that the cycloaddition reaction occurs through a concerted mechanism in both the presence and absence of the catalyst. Analysis of reaction force and reaction electronic flux provides valuable information about the total work required and electronic acti… Show more

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