Artículo de revista
Bond Fukui Functions As Descriptor of the Electron Density Reorganization in pi Conjugated Systems
Fecha
2012-01-06Registro en:
JOURNAL OF ORGANIC CHEMISTRY Volume: 77 Issue: 1 Pages: 90-95 Published: JAN 6 2012
DOI: 10.1021/jo201465g
Autor
González Suárez, M.
Aizman, Arie
Soto Delgado, Jorge
Contreras Ramos, Renato
Institución
Resumen
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 pi 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.