Unveiling the Unexpected Reactivity of Electrophilic Diazoalkanes in [3+2] Cycloaddition Reactions within Molecular Electron Density Theory

Unveiling the Unexpected Reactivity of Electrophilic Diazoalkanes in [3+2] Cycloaddition Reactions within Molecular Electron Density Theory

The [3+2] cycloaddition (32CA) reactions of strongly nucleophilic norbornadiene (NBD), with simplest diazoalkane (DAA) and three DAAs of increased electrophilicity, have been studied within the Molecular Electron Density Theory (MEDT) at the MPWB1K/6-311G (d,p) computational level. These <i>pm...

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Bibliographic Details
Main Authors: Luis R. Domingo, Mar Ríos-Gutiérrez, Nivedita Acharjee
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Chemistry
Subjects:
molecular electron density theory
norbornadiene
diazoalkanes
conceptual DFT
electron localization function
Online Access:https://www.mdpi.com/2624-8549/3/1/6

Internet

https://www.mdpi.com/2624-8549/3/1/6

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