Bond Fukui Functions As Descriptor of the Electron Density Reorganization in 蟺 Conjugated Systems

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• 作者：M. Gonzalez-Suarez ; Arie Aizman ; Jorge Soto-Delgado ; R. Contreras
• 刊名：The Journal of Organic Chemistry
• 出版年：2012
• 出版时间：January 6, 2012
• 年：2012
• 卷：77
• 期：1
• 页码：90-95
• 全文大小：299K
• 年卷期：v.77,no.1(January 6, 2012)
• ISSN：1520-6904

文摘

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 蟺 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.