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The Puzzle of the New Type of Intermediate in the Course of [2 + 2] Cycloaddition with the Participation of Conjugated Nitroalkenes: MEDT Computational Study

The phenomena of regio- and stereoselectivity and the molecular mechanism of the [2 + 2] cycloaddition reaction between (E)-2-arylnitroethenes and the ynamine molecular system were analyzed using wb97xd/6-311 + G(d) (PCM) quantumchemical calculations. It was found that, independently of the stepwise...

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Principais autores: Radomir Jasiński, Agnieszka Kącka-Zych
פורמט: Artigo
שפה:Inglês
יצא לאור: MDPI AG 2025-05-01
סדרה:Molecules
נושאים:
[2 + 2] cycloaddition
nitroalkenes
stereochemistry
pseudoradical intermediate
DFT calculations
mechanism
גישה מקוונת:https://www.mdpi.com/1420-3049/30/11/2410
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