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>pmr-type...

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Главные авторы:	Luis R. Domingo, Mar Ríos-Gutiérrez, Nivedita Acharjee
Формат:	Artigo
Язык:	Inglês
Опубликовано:	MDPI AG 2021-01-01
Серии:	Chemistry
Предметы:	molecular electron density theory norbornadiene diazoalkanes conceptual DFT electron localization function
Online-ссылка:	https://www.mdpi.com/2624-8549/3/1/6
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