A reexamination of the molecular mechanism of the Diels–Alder reaction between tetrafluoroethene and cyclopentadieneReport as inadecuate




A reexamination of the molecular mechanism of the Diels–Alder reaction between tetrafluoroethene and cyclopentadiene - Download this document for free, or read online. Document in PDF available to download.

Reaction Kinetics, Mechanisms and Catalysis

, Volume 119, Issue 1, pp 49–57

First Online: 28 May 2016Received: 29 February 2016Accepted: 20 May 2016

Abstract

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.

KeywordsDiels–Alder reaction DFT study Kinetic isotope effects Stepwise mechanism  Download fulltext PDF



Author: Radomir Jasiński

Source: https://link.springer.com/



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