Unveiling the Ionic Diels–Alder Reactions within the Molecular Electron Density Theory

The ionic Diels–Alder (I-DA) reactions of a series of six iminium cations with cyclopentadiene have been studied within the Molecular Electron Density Theory (MEDT). The superelectrophilic character of iminium cations, ω > 8.20 eV, accounts for the high reactivity of these species participating i...

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Bibliographic Details

Published in:	Molecules
Main Authors:	Luis R. Domingo, Mar Ríos-Gutiérrez, María José Aurell
Format:	Article
Language:	English
Published:	MDPI AG 2021-06-01
Subjects:	ionic Diels–Alder reactions Molecular Electron Density Theory iminium cations superelectrophiles global electron density transfer asynchronicity
Online Access:	https://www.mdpi.com/1420-3049/26/12/3638