Electrophilicity Indices for Peroxyl Radicals

被引：0
|
作者：
S. V. Puchkov
Yu. V. Nepomnyashchikh
机构：
[1] Gorbachev Kuzbass State Technical University,Institute of Chemical and Petroleum
[2] Gorbachev Kuzbass State Technical University,Gas Technologies
来源：
Russian Journal of Physical Chemistry B | 2018年 / 12卷
关键词：
electrophilicity indices; peroxyl radicals;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
In this work, electrophilicity indices are calculated for 50 peroxyl radicals with density-functional theory (B3LYP hybrid functional and the 6-311+G(d,p) basis set). There is a relationship between general and local electrophilicity indices of peroxyl radicals and Taft inductive constants (σ*) of the substituents at the–OO• group.
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页码：904 / 907
页数：3
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