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

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

A. Zeroual Chouaib Doukkali University

M. Zoubir

M. El Idrissi

R. El Ajlaoui

A. El Haib

S. Abouricha

N. Mazoir

A. El Hajbi

DOI

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Abstract

A theoretical study of the molecular mechanism and regioselectivity of the [1+2] cycloaddition reaction between alkenes: limonene, terpinolene, ?-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.

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

Authors

A. Zeroual Chouaib Doukkali University

M. Zoubir

M. El Idrissi

R. El Ajlaoui

A. El Haib

S. Abouricha

N. Mazoir

A. El Hajbi

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How to Cite

A. Zeroual. 2017. “. Global Journal of Science Frontier Research – B: Chemistry GJSFR-B Volume 17 (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

GJSFR Volume 17 Issue B1
Pg. 7- 14

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Classification

GJSFR-B Classification: FOR Code: 030699

Submission Received April 6, 2017
Accepted May 2, 2017
Published May 15, 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)

View Count (all-time): 109

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Publish Date: 2017 05, Tue

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Total Views: 3326

Total Downloads: 1652

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