A reexamination of the molecular mechanism of the Diels–Alder reaction between tetrafluoroethene and cyclopentadiene

被引：0
作者：
Radomir Jasiński
机构：
[1] Cracow University of Technology,Institute of Organic Chemistry and Technology
来源：
Reaction Kinetics, Mechanisms and Catalysis | 2016年 / 119卷
关键词：
Diels–Alder reaction; DFT study; Kinetic isotope effects; Stepwise mechanism;
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学科分类号：
摘要：
DFT calculation results shed a new light on the mechanism of cycloaddition reaction between tetrafluoroethene and cyclopentadiene. The unique influence of fluorine atoms on the ethylene derivative molecule causes the [2 + 2] cycloaddition process to take place according to a stepwise, biradical mechanism. At the same time, the competitive and independent path leads to a one-step (and not a two-step, as was once thought) cycloaddition reaction leading to a [2 + 4] cycloadduct.
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页码：49 / 57
页数：8
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