Work

DFT study for the Diels-Alder reactions between butadiene ethylene for evaluate the effects of electro-attractors substituents

Year: 2021

Type: article

Abstract: Investigation of the effect of three electron-withdrawing atoms of the periodic table on the activation energy of the Diels-Alder reaction by substituting an ethylene hydrogen CH2=CH2 by F, Cl, Br, following the decrease in electronegativity. An exception was found for the boron atom Br, which is that the activation energy decreases remarkably from 27 to 20.86. This drop-in activation energy can be explained by the secondary orbital interaction.

Source: RHAZES

DOI: 10.48419/imist.prsm/rhazes-v13.28094

Authors: Hammoudan, Imad, Chtita, Samir, Riffi- Temsamani, Driss

Institution: Université Hassan II Mohammedia

Language: English

Topic: Organic Chemistry Cycloaddition Reactions

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: diamond

OpenAlex ID: W3203139976

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