Electrophilicity Index
Robert G. ParrContribution from the Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina, 27599-3290, Chemistry Department, University of the West Indies, Mona Campus, Kingston 7, Jamaica, and Department of Biochemistry and Biophysics, School of Medicine, University of North Carolina, Chapel Hill, North Carolina, 27599-7260László von SzentpályContribution from the Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina, 27599-3290, Chemistry Department, University of the West Indies, Mona Campus, Kingston 7, Jamaica, and Department of Biochemistry and Biophysics, School of Medicine, University of North Carolina, Chapel Hill, North Carolina, 27599-7260Shubin LiuContribution from the Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina, 27599-3290, Chemistry Department, University of the West Indies, Mona Campus, Kingston 7, Jamaica, and Department of Biochemistry and Biophysics, School of Medicine, University of North Carolina, Chapel Hill, North Carolina, 27599-7260
1999en
ABI
Аннотация
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.
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