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

Authors

  • A. Zeroual

[1 2] cycloaddition, limonene, terpinolene, ?- terpinene, DFT/6-31(d, p), TST

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.

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How to Cite

Theoretical Analysis of Reactivity and Regioselectivity in [1+2] Cycloaddtion Reaction of some Monoterpenes with Dichlorocarbene. (2017). Global Journal of Science Frontier Research, 17(B1), 7-14. https://www.journalofscience.org/index.php/GJSFR/article/view/1972

 

References

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

Published

2017-01-15

Issue

Vol. 17 No. B1 (2017): GJSFR-B Interdisciplinary: Volume 17 Issue B1

Section

Articles

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Copyright (c) 2017 Authors and Global Journals Private Limited

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

How to Cite

Theoretical Analysis of Reactivity and Regioselectivity in [1+2] Cycloaddtion Reaction of some Monoterpenes with Dichlorocarbene. (2017). Global Journal of Science Frontier Research, 17(B1), 7-14. https://www.journalofscience.org/index.php/GJSFR/article/view/1972