Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology Kharagpur, Kharagpur 721302, West Bengal, India.
Org Biomol Chem. 2012 Apr 14;10(14):2855-61. doi: 10.1039/c2ob06943a. Epub 2012 Mar 5.
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 R(k) index accounts for the extent of the electronic activation, a behavior that allows for the use of the R(k) index as a measure of the molecular reactivity especially in polar processes.
局部反应活性差异指数 R(k) 被证明能够预测有机分子内部的局部亲电性和/或亲核性活化。与由符号给出的中心 k 的亲电性和/或亲核性行为一起,R(k) 指数的大小说明了电子活化的程度,这种行为使得 R(k) 指数可以用作衡量分子反应性的一种度量,特别是在极性过程中。