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

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

The intramolecular ionic Diels–Alder (IIDA) reactions of two dieniminiums were studied within the Molecular Electron Density Theory (MEDT) at the ωB97XD/6-311G(d,p) computational level. Topological analysis of the electron localization function (ELF) of dieniminiums showed that their electronic stru...

Full description

Bibliographic Details
Main Authors: Luis R. Domingo, Mar Ríos-Gutiérrez, María José Aurell
Format: Article
Language:English
Published: MDPI AG 2021-08-01
Series:Chemistry
Subjects:
intramolecular ionic Diels–Alder reactions
molecular electron density theory
dieniminiums
superelectrophiles
global electron density transfer
Online Access:https://www.mdpi.com/2624-8549/3/3/61

Internet

https://www.mdpi.com/2624-8549/3/3/61

Similar Items