Electrophilicity index

被引:6281
作者
Parr, RG
Von Szentpály, L
Liu, SB
机构
[1] Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
[2] Univ W Indies, Dept Chem, Kingston 7, Jamaica
[3] Univ N Carolina, Dept Biochem & Biophys, Sch Med, Chapel Hill, NC 27599 USA
关键词
D O I
10.1021/ja983494x
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Prompted by a recent paper by Maynard and co-workers (Maynard, A. T.; Huang, M.; Rice, W. G.; Covel, D. G. Proc. Natl. Acad. Sci. U.S.A. 1998. 95, 11578), we propose that a specific property of a chemical species. the square of its electronegativity divided by its chemical hardness, be taken as defining its electrophilicity index. We tabulate this quantity for a number of atomic and molecular species, for two different models of the energy-electron number relationships, and we show that it measures the second-order energy change of an electrophile as it is saturated with electrons.
引用
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页码:1922 / 1924
页数:3
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