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Investigation of Ligand Effect on Regio- and Stereoselectivity in the Heck Reaction
Mälardalen University, School of Sustainable Development of Society and Technology.
2009 (English)Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
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.

Place, publisher, year, edition, pages
2009. , 31 p.
National Category
Other Basic Medicine
Identifiers
URN: urn:nbn:se:mdh:diva-5980OAI: oai:DiVA.org:mdh-5980DiVA: diva2:219230
Presentation
(English)
Uppsok
Physics, Chemistry, Mathematics
Supervisors
Examiners
Available from: 2010-10-21 Created: 2009-05-26 Last updated: 2010-10-21Bibliographically approved

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CiteExportLink to record
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Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
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Language
  • de-DE
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  • en-US
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  • nn-NO
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  • sv-SE
  • Other locale
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