Browsing by Subject "Alkene metathesis"
Now showing items 1-7 of 7
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A DFT computational study of phosphine ligand dissociation versus hemilability in a Grubbs-type precatalyst containing a bidentate ligand during alkene metathesis
(Taylor & Francis, 2008)Using density functional theory, the metathesis reaction of 1-octene in the presence of a Grubbs-type ruthenium alkylidene complex bearing a chelating pyridinyl alcoholate ligand, [RuCl(L)(O∧ N)( = CHPh)] (L = H2IMes or ... -
DFT investigation of the 1-octene metathesis reaction mechanism with the Phobcat precatalyst
(Springer, 2009)The productive self-metathesis reaction of 1-octene in the presence of the Phobcat precatalyst [RuCl2(Phoban-Cy)2(=CHPh)] using density functional theory was investigated and compared to the Grubbs 1 precatalyst ... -
Experimental and DFT investigation of the 1-octene metathesis reaction mechanism with the Grubbs 1 precatalyst
(Elsevier, 2006)Using density functional theory the metathesis reactions of 1-octene in the presence of Grubbs 1 [RuCl2(PCy3)2( CHPh)] is investigated. At the GGA-PW91/DNP level, the complete geometry optimization and the activation ... -
Modelling of Grubbs type precatalysts with bidentate hemilabile ligands
(North-West University, 2012)Metathesis is a valuable reaction for the production of new alkenes. In the last 50 years, heterogeneous as well as homogeneous catalysts have been used for this reaction. In the homogeneous category are the very successful ... -
On the mechanism of homogeneous alkene metathesis : a computational study
(North-West University, 2012)A mechanism for alkene metathesis has been proposed by Chauvin, wherein metal carbenes act as catalysts for the reaction. The use and discovery of Fischer-, Tebbe-, Grubbs- and Schrock-type metal carbenes have to a certain ... -
Separation of Grubbs-based catalysts with nanofiltration
(North-West University, 2008)This thesis describes the use of organic solvent nanofiltration (OSN) in the field of metathesis for separating homogeneous Grubbs-type catalysts from their post-reaction mixtures for the model metathesis reaction of ... -
Synthesis and application of novel ruthenium catalysts for high temperature alkene metathesis
(MDPI, 2017)Four pyridinyl alcohols and the corresponding hemilabile pyridinyl alcoholato ruthenium carbene complexes of the Grubbs second generation-type RuCl(H2IMes)(O^N)(=CHPh), where O^N = 1-(2′-pyridinyl)-1,1-diphenyl methanolato, ...