Theoretical Analysis of Reactivity and Regioselectivity in [1+2] Cycloaddtion Reaction of some Monoterpenes with Dichlorocarbene
Keywords:
[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
A. Zeroual. (2017). Theoretical Analysis of Reactivity and Regioselectivity in [1+2] Cycloaddtion Reaction of some Monoterpenes with Dichlorocarbene. Global Journal of Science Frontier Research, 17(B1), 7–14. Retrieved from https://journalofscience.org/index.php/GJSFR/article/view/1972
Published
2017-01-15
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