Bond fukui functions as descriptor of the electron density reorganization in π conjugated systems

M. Gonzalez-Suarez; Arie Aizman; Jorge Soto-Delgado; R. Contreras

doi:10.1021/jo201465g

Bond fukui functions as descriptor of the electron density reorganization in π conjugated systems

M. Gonzalez-Suarez, Arie Aizman, Jorge Soto-Delgado, R. Contreras

Exact Sciences School

Research output: Contribution to journal › Article › peer-review

15 Citations (Scopus)

Abstract

The bond Fukui function is introduced and tested as a new reactivity index capable of predicting the evolution of bond breaking and formation processes during an organic reaction involving π conjugated systems. As an illustration, we examine many cases where substituted ethylenes and dienes may respond to different reagents to yield cycloaddition, Michael addition, and other reactions at double bonds.

Original language	English
Pages (from-to)	90-95
Number of pages	6
Journal	Journal of Organic Chemistry
Volume	77
Issue number	1
DOIs	https://doi.org/10.1021/jo201465g
Publication status	Published - 6 Jan 2012

ASJC Scopus subject areas

Organic Chemistry

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abstract = "The bond Fukui function is introduced and tested as a new reactivity index capable of predicting the evolution of bond breaking and formation processes during an organic reaction involving π conjugated systems. As an illustration, we examine many cases where substituted ethylenes and dienes may respond to different reagents to yield cycloaddition, Michael addition, and other reactions at double bonds.",

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AU - Gonzalez-Suarez, M.

AU - Aizman, Arie

AU - Soto-Delgado, Jorge

AU - Contreras, R.

PY - 2012/1/6

Y1 - 2012/1/6

N2 - The bond Fukui function is introduced and tested as a new reactivity index capable of predicting the evolution of bond breaking and formation processes during an organic reaction involving π conjugated systems. As an illustration, we examine many cases where substituted ethylenes and dienes may respond to different reagents to yield cycloaddition, Michael addition, and other reactions at double bonds.

AB - The bond Fukui function is introduced and tested as a new reactivity index capable of predicting the evolution of bond breaking and formation processes during an organic reaction involving π conjugated systems. As an illustration, we examine many cases where substituted ethylenes and dienes may respond to different reagents to yield cycloaddition, Michael addition, and other reactions at double bonds.

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EP - 95

JO - Journal of Organic Chemistry

JF - Journal of Organic Chemistry

IS - 1

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Bond fukui functions as descriptor of the electron density reorganization in π conjugated systems

Abstract

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