期刊
TETRAHEDRON LETTERS
卷 54, 期 4, 页码 339-342出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.tetlet.2012.11.039
关键词
Parr's omega index; Single reactivity scale; Electrophilicity; Nucleophilicity; HOMO and LUMO
We have disclosed a new aspect of Parr's omega value (omega = mu(2)/2 eta), which was originally proposed as an electrophilicity index, and reformed the omega value as a useful single scale from electrophilicity to nucleophilicity by introducing the corresponding epsilon values (epsilon = mu eta). The plot of the to values against the 8 values (omega-epsilon correlation) presented a fine parabola for 65 chemical species: the order of the electrophilicity is seen at negative epsilon values and the order of nucleophilicity is seen at positive a values. (C) 2012 Elsevier Ltd. All rights reserved.
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