Update 1 of: Electrophilicity Index

被引:409
|
作者
Chattaraj, Pratim Kumar [1 ]
Roy, Debesh Ranjan [1 ]
机构
[1] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
关键词
D O I
10.1021/cr078014b
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The tremendous power of the electrophilicity index proposed by Parr, Szentpaly, and Liu provides insight into almost every arena of chemistry and encompasses information about the structure, properties, stability, reactivity, interactions, bonding, toxicity, and dynamics of many electron systems in ground and excited electronic states. The electrophilicity concept in general was studied, with the common thread being the Maynard-Parr electrophilicity index. As is the case for most of the conceptual DFT-based reactivity/selectivity descriptors, the global and local electrophilicities possess strong interpretive power, which itself is important in understanding a diverse class of biophysicochemical processes. However, their predictive capacity has yet to be assessed. The study concludes with the optimistic note that the electrophilicity will exhibit its tremendous predictive potential, which, along with its existing interpretive characteristics, together with those of the other descriptors, will be adequate in developing a complete theory of chemical reactivity.
引用
收藏
页码:PR46 / PR74
页数:29
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