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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Váldodahkkit:	Luis R. Domingo, Mar Ríos-Gutiérrez, Nivedita Acharjee
Materiálatiipa:	Artigo
Giella:	Inglês
Almmustuhtton:	MDPI AG 2021-01-01
Ráidu:	Chemistry
Fáttát:	molecular electron density theory norbornadiene diazoalkanes conceptual DFT electron localization function
Liŋkkat:	https://www.mdpi.com/2624-8549/3/1/6
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