Alder-Ene Reaction: Aromaticity and Activation Strain Analysis

I. Fernandez; F.M. Bickelhaupt

doi:10.1002/jcc.22877

Alder-Ene Reaction: Aromaticity and Activation Strain Analysis

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

We have computationally explored the trend in reactivity of the Alder-ene reactions between propene and a series of seven enophiles using density functional theory at M06-2X/def2-TZVPP. The reaction barrier decreases along the enophiles in the order H

Original language	English
Pages (from-to)	509-516
Journal	Journal of Computational Chemistry
DOIs	https://doi.org/10.1002/jcc.22877
Publication status	Published - 2012

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title = "Alder-Ene Reaction: Aromaticity and Activation Strain Analysis",

abstract = "We have computationally explored the trend in reactivity of the Alder-ene reactions between propene and a series of seven enophiles using density functional theory at M06-2X/def2-TZVPP. The reaction barrier decreases along the enophiles in the order H",

author = "I. Fernandez and F.M. Bickelhaupt",

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AU - Bickelhaupt, F.M.

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SP - 509

EP - 516

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

ER -

Alder-Ene Reaction: Aromaticity and Activation Strain Analysis

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