DFT Study on the Relative Stabilities of Substituted Ruthenacyclobutane Intermediates Involved in Olefin Cross-Metathesis Reactions and Their Interconversion Pathways

2014 ◽  
Vol 33 (21) ◽  
pp. 6065-6075 ◽  
Author(s):  
Katherine Paredes-Gil ◽  
Xavier Solans-Monfort ◽  
Luis Rodriguez-Santiago ◽  
Mariona Sodupe ◽  
Pablo Jaque
Keyword(s):  
Dft Study ◽  
Relative Stabilities ◽  
Cross Metathesis ◽  
Metathesis Reactions

Bicatalytic Allylation–Cross-Metathesis Reactions as γ-Carbonyl Cation Equivalents

Synlett ◽  
2012 ◽  
Vol 23 (17) ◽  
pp. 2576-2576
Author(s):  
James Green ◽  
Jake Henkie ◽  
Sugadar Dhaliwal
Keyword(s):  
Cross Metathesis ◽  
Metathesis Reactions

One-Pot Ring-Closing Metathesis-Alkene Cross Metathesis Reactions of Sulfamide-Linked Enynes

2004 ◽  
Vol 2004 (4) ◽  
pp. 800-806 ◽  
Author(s):  
Sofia S. Salim ◽  
Richard K. Bellingham ◽  
Richard C. D. Brown
Keyword(s):  
Ring Closing Metathesis ◽  
One Pot ◽  
Cross Metathesis ◽  
Metathesis Reactions

An Efficient Synthesis of Chiral Non‐Racemic Hydroxyalkanoic Acids by Olefin Cross‐Metathesis Reactions

2018 ◽  
Vol 3 (47) ◽  
pp. 13372-13376 ◽  
Author(s):  
Fioretta Asaro ◽  
Sara Drioli ◽  
Cristina Forzato ◽  
Patrizia Nitti
Keyword(s):  
Efficient Synthesis ◽  
Cross Metathesis ◽  
Metathesis Reactions

scholarly journals In situ-DRIFTS study: influence of surface acidity of rhenium-based catalysts in the metathesis of various olefins for propylene production

RSC Advances ◽  
2017 ◽  
Vol 7 (61) ◽  
pp. 38659-38665 ◽  
Author(s):  
Siriporn Vorakitkanvasin ◽  
Weena Phongsawat ◽  
Kongkiat Suriye ◽  
Piyasan Praserthdam ◽  
Joongjai Panpranot
Keyword(s):  
Surface Acidity ◽  
In Situ Drifts ◽  
Cross Metathesis ◽  
Metathesis Reactions ◽  
Propylene Production

Various olefins including 1- and 2-butene, 2-pentene, and ethylene were used as the reactants for producing propylene by self- and cross-metathesis reactions at 60 °C on supported Re-based catalysts (4 wt% Re).

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

2015 ◽  
Vol 11 ◽  
pp. 2150-2157 ◽  
Author(s):  
Markéta Rybáčková ◽  
Jan Hošek ◽  
Ondřej Šimůnek ◽  
Viola Kolaříková ◽  
Jaroslav Kvíčala
Keyword(s):  
Computational Study ◽  
Catalytic Cycle ◽  
Dft Study ◽  
Cross Metathesis ◽  
High Preference ◽  
The Cross

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.

Molecular Modeling of Ruthenium Alkylidene Mediated Olefin Metathesis Reactions. DFT Study of Reaction Pathways

2003 ◽  
Vol 22 (1) ◽  
pp. 93-99 ◽  
Author(s):  
Serguei Fomine ◽  
Sergio Martinez Vargas ◽  
Mikhail A. Tlenkopatchev
Keyword(s):  
Molecular Modeling ◽  
Olefin Metathesis ◽  
Dft Study ◽  
Reaction Pathways ◽  
Metathesis Reactions

Selective Domino Ring-Closing Metathesis−Cross-Metathesis Reactions between Enynes and Electron-Deficient Alkenes

2003 ◽  
Vol 5 (11) ◽  
pp. 2007-2009 ◽  
Author(s):  
Frédérique Royer ◽  
Claire Vilain ◽  
Laurent Elkaïm ◽  
Laurence Grimaud
Keyword(s):  
Ring Closing Metathesis ◽  
Cross Metathesis ◽  
Metathesis Reactions
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