Bond Fukui functions as descriptor of the electron density reorganization in π conjugated systems
M Gonzalez-Suarez, A Aizman… - The Journal of …, 2012 - ACS Publications
M Gonzalez-Suarez, A Aizman, J Soto-Delgado, R Contreras
The Journal of Organic Chemistry, 2012•ACS PublicationsThe 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.
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.
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.
ACS Publications
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