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Investigation of Ligand Effect on Regio- and Stereoselectivity in the Heck Reaction
Mälardalens högskola, Akademin för hållbar samhälls- och teknikutveckling.
2009 (engelsk)Independent thesis Advanced level (degree of Master (Two Years)), 20 poäng / 30 hpOppgave
Abstract [en]

This report describes the investigation of how the structure of the ligand influences the product distribution in a series of model Heck reactions. The results showed that the ligand had a strong influence on the selectivity in all cases. It also describes efforts to build prediction models through PLS modelling of experimental data against calculated descriptors for the ligands in silico. In addition, a subset of the data was used to investigate the ability of DFT calculations to predict the selectivity.

sted, utgiver, år, opplag, sider
2009. , s. 31
HSV kategori
Identifikatorer
URN: urn:nbn:se:mdh:diva-5980OAI: oai:DiVA.org:mdh-5980DiVA, id: diva2:219230
Presentation
(engelsk)
Uppsök
Physics, Chemistry, Mathematics
Veileder
Examiner
Tilgjengelig fra: 2010-10-21 Laget: 2009-05-26 Sist oppdatert: 2018-01-13bibliografisk kontrollert

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