4.6 Article

Understanding local electrophilicity/nucleophilicity activation through a single reactivity difference index

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ORGANIC & BIOMOLECULAR CHEMISTRY
卷 10, 期 14, 页码 2855-2861

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ROYAL SOC CHEMISTRY
DOI: 10.1039/c2ob06943a

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  1. Spanish Government [CTQ2009-11027/BQU]
  2. CSIR, New Delhi
  3. DST, New Delhi

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A local reactivity difference index R-k is shown to be able to predict the local electrophilic and/or nucleophilic activation within an organic molecule. Together with the electrophilic and/or nucleophilic behavior of the center k given by the sign, the magnitude of the Rk index accounts for the extent of the electronic activation, a behavior that allows for the use of the Rk index as a measure of the molecular reactivity especially in polar processes.

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