Computational study of productive and non-productive cycles in fluoroalkene metathesis

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F15%3A43900670" target="_blank" >RIV/60461373:22310/15:43900670 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.3762/bjoc.11.232" target="_blank" >http://dx.doi.org/10.3762/bjoc.11.232</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3762/bjoc.11.232" target="_blank" >10.3762/bjoc.11.232</a>

Result language
angličtina
Original language name
Computational study of productive and non-productive cycles in fluoroalkene metathesis
Original language description
A detailed DFT study of the mechanism of metathesis of fluoroethene, 1-fluoroethene, 1,1-difluoroethene, cis- and trans-1,2-difluoroethene, tetrafluoroethene and chlorotrifluoroethene catalysed with the Hoveyda-Grubbs 2nd generation catalyst was performed. It revealed that a successful metathesis of hydrofluoroethenes is hampered by a high preference for a non-productive catalytic cycle proceeding through a ruthenacyclobutane intermediate bearing fluorines in positions 2 and 4. Moreover, the calculations showed that the cross-metathesis of perfluoro- or perhaloalkenes should be a feasible process and that the metathesis is not very sensitive to stereochemical issues.
Czech name
—
Czech description
—

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
—

Project
<a href="/en/project/GAP207%2F10%2F1533" target="_blank" >GAP207/10/1533: Fluorous carbenes, complexes and ionic liquids based on perfluoropolyether-substituted imidazolium salts and their applications</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)