Modeling of the General Trends of Reactivity and Regioselectivity in Cyclopentadiene–Nitroalkene Diels–Alder Reactions

Modeling of the General Trends of Reactivity and Regioselectivity in Cyclopentadiene–Nitroalkene Diels–Alder Reactions

This study presents a theoretical investigation of the electronic properties of mono- and pentasubstituted cyclopentadiene analogs and variously substituted conjugated nitroalkenes bearing electron-donating and electron-withdrawing groups. Conceptual Density Functional Theory (CDFT) and Electron Loc...

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Bibliographic Details
Main Authors: Adrianna Fałowska, Stanisław Grzybowski, Daniel Kapuściński, Karol Sambora, Agnieszka Łapczuk
Format: Article
Language:English
Published: MDPI AG 2025-06-01
Series:Molecules
Subjects:
reactivity
(4+2) cycloaddition
cyclic dienes
conjugated nitroalkenes
CDFT
MEDT
Online Access:https://www.mdpi.com/1420-3049/30/11/2467
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