期刊
CHEMICAL PHYSICS LETTERS
卷 499, 期 4-6, 页码 272-277出版社
ELSEVIER
DOI: 10.1016/j.cplett.2010.09.068
关键词
-
资金
- FONDECYT [1070715]
- Spanish Government [CTQ2009-11 027/BQU]
- USM [130922]
- MECESUP [0408]
We herein demonstrate that the global electrophilicity may be distributed into fragments within a single molecule by using an empirical partitioning scheme of the electronic chemical potential framed on the chemical potential inequality principle. Group electrophilicity for several fragments may thereby be defined. Their values show a remarkable stability, independent of the chemical environment they are attached to. The model is applied to asses the chemical reactivity of a series of fragments involved in intramolecular Diels-Alder reactions. (C) 2010 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据