Theoretical Analysis of Reactivity and Regioselectivity in [1+2] Cycloaddtion Reaction of some Monoterpenes with Dichlorocarbene

Theoretical Analysis of Reactivity and Regioselectivity in [1+2] Cycloaddtion Reaction of some Monoterpenes with Dichlorocarbene

A. Zeroual

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M. Zoubir

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M. El Idrissi

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R. El Ajlaoui

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A. El Haib

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S. Abouricha

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N. Mazoir

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A. El Hajbi

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α Chouaib Doukkali University

Theoretical Analysis of Reactivity and Regioselectivity in [1+2] Cycloaddtion Reaction of some Monoterpenes with Dichlorocarbene

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Abstract

A theoretical study of the molecular mechanism and regioselectivity of the [1+2] cycloaddition reaction between alkenes: limonene, terpinolene, γ-terpinene and dichlorocarbene has been carried out at the B3LYP/6-31G (d,p) level of theory. The calculation of activation and reaction free energies indicates that these reactions are regio-specific in good agreement with experimental result.

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Funding

No external funding was declared for this work.

Conflict of Interest

The authors declare no conflict of interest.

Ethical Approval

No ethics committee approval was required for this article type.

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Not applicable for this article.

How to Cite This Article

A. Zeroual. 2017. \u201cTheoretical Analysis of Reactivity and Regioselectivity in [1+2] Cycloaddtion Reaction of some Monoterpenes with Dichlorocarbene\u201d. Global Journal of Science Frontier Research - B: Chemistry GJSFR-B Volume 17 (GJSFR Volume 17 Issue B1).

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GJSFR Volume 17 Issue B1

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Journal Specifications

Crossref Journal DOI 10.17406/GJSFR

Print ISSN 0975-5896

e-ISSN 2249-4626

Keywords

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GJSFR-B Classification FOR Code: 030699

Submission ReceivedApril 6, 2017
Peer Review Double Blind
Handling Editor
Accepted May 2, 2017
Published May 15, 2017

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v1.2

Issue date

May 30, 2017

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Article Matrices

Total Score: 128

Country: Morocco

Subject: Global Journal of Science Frontier Research - B: Chemistry

Authors: A. Zeroual, M. Zoubir, M. El Idrissi, R. El Ajlaoui, A. El Haib, S. Abouricha, N. Mazoir, A. El Hajbi (PhD/Dr. count: 0)

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