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Year 2024, Volume: 8 Issue: 3, 23 - 43

Boulanouar Messaoudı

https://doi.org/10.33435/tcandtc.1275208

Abstract

References

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A theoretical study of the regioselectivity of the reaction of six-membered and five-membered nitrones with a series of substituted alkenes

Year 2024, Volume: 8 Issue: 3, 23 - 43

Boulanouar Messaoudı

https://doi.org/10.33435/tcandtc.1275208

Abstract

The experimentally observed regioselectivity of a series of alkenes reactions with some nitrones has been thoroughly investigated theoretically using density functional theory (DFT) B3lyp/6-31G(d) level of theory. Both Fukui and Parr indices have been calculated to explain and show the most reactive sites. The electrostatic surface potential has also been studied and analyzed in order to show the positive and negative regions responsible of the possible interaction between the two studied reactants. The theoretical results are in good agreement with the experimental findings.

Keywords

Nitrones alkene regioselectivity Fukui and Parr functions B3lyp.

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Details

Primary Language English
Subjects Chemical Engineering
Journal Section Research Article
Authors

Boulanouar Messaoudı 0000-0002-5638-2234

Early Pub Date March 4, 2024
Publication Date
Submission Date April 1, 2023
Published in Issue Year 2024 Volume: 8 Issue: 3

Cite

APA Messaoudı, B. (n.d.). A theoretical study of the regioselectivity of the reaction of six-membered and five-membered nitrones with a series of substituted alkenes. Turkish Computational and Theoretical Chemistry, 8(3), 23-43. https://doi.org/10.33435/tcandtc.1275208
AMA Messaoudı B. A theoretical study of the regioselectivity of the reaction of six-membered and five-membered nitrones with a series of substituted alkenes. Turkish Comp Theo Chem (TC&TC). 8(3):23-43. doi:10.33435/tcandtc.1275208
Chicago Messaoudı, Boulanouar. “A Theoretical Study of the Regioselectivity of the Reaction of Six-Membered and Five-Membered Nitrones With a Series of Substituted Alkenes”. Turkish Computational and Theoretical Chemistry 8, no. 3 n.d.: 23-43. https://doi.org/10.33435/tcandtc.1275208.
EndNote Messaoudı B A theoretical study of the regioselectivity of the reaction of six-membered and five-membered nitrones with a series of substituted alkenes. Turkish Computational and Theoretical Chemistry 8 3 23–43.
IEEE B. Messaoudı, “A theoretical study of the regioselectivity of the reaction of six-membered and five-membered nitrones with a series of substituted alkenes”, Turkish Comp Theo Chem (TC&TC), vol. 8, no. 3, pp. 23–43, doi: 10.33435/tcandtc.1275208.
ISNAD Messaoudı, Boulanouar. “A Theoretical Study of the Regioselectivity of the Reaction of Six-Membered and Five-Membered Nitrones With a Series of Substituted Alkenes”. Turkish Computational and Theoretical Chemistry 8/3 (n.d.), 23-43. https://doi.org/10.33435/tcandtc.1275208.
JAMA Messaoudı B. A theoretical study of the regioselectivity of the reaction of six-membered and five-membered nitrones with a series of substituted alkenes. Turkish Comp Theo Chem (TC&TC).;8:23–43.
MLA Messaoudı, Boulanouar. “A Theoretical Study of the Regioselectivity of the Reaction of Six-Membered and Five-Membered Nitrones With a Series of Substituted Alkenes”. Turkish Computational and Theoretical Chemistry, vol. 8, no. 3, pp. 23-43, doi:10.33435/tcandtc.1275208.
Vancouver Messaoudı B. A theoretical study of the regioselectivity of the reaction of six-membered and five-membered nitrones with a series of substituted alkenes. Turkish Comp Theo Chem (TC&TC). 8(3):23-4.

Journal Full Title: Turkish Computational and Theoretical Chemistry


Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)