Electrophilicity index

被引:941
作者
Chattaraj, Pratim Kumar [1 ]
Sarkar, Utpal [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/cr040109f
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The electrophiliciy index proposed by Parr, Szentpaly, and Liu provides insight into almost every arena of chemistry and encompases information about the structure, properties, stability, reactivity, interactions, bonding, toxicity, and dynamics of many electron systems in ground and excited electronic states. The whole gamut of the conceptual density functional theory lends support toward the electrophilicity index and helps it realize its full potential. As is the case for most of the conceptual DFT-based reactivity/selectivity descriptors, the global and local electrophilicities possess strong interpretive power.
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页码:2065 / 2091
页数:27
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