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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Henriksen, Signe Teuber Norrby, Per-ola Tanner, David Skrydstrup, Troels |
| Description | Author Affiliation: Henriksen ST ( Department of Chemistry, Technical University of Denmark, Building 201, Kemitorvet, DK-2800 Kgs. Lyngby, Denmark.) |
| Abstract | The mechanism of the recently developed palladium-catalyzed ene–yne coupling has been evaluated by DFT methods. The calculations validate the previously proposed reaction mechanism and explain the stereoselectivity of the reaction (exclusive formation of the E isomer of the disubstituted alkene). Concerning chemoselectivity, the calculations also clarify why the ene–yne coupling is able to dominate over plausible alternative reaction pathways such as alkene homocoupling and alkyne polymerization. The role of the phosphine ligand at various stages of the catalytic cycle has also been delineated. |
| ISSN | 09476539 |
| e-ISSN | 15213765 |
| Journal | Chemistry - A European Journal |
| Issue Number | 31 |
| Volume Number | 16 |
| Language | English |
| Publisher | Wiley-VCH;ChemPubSoc Europe |
| Publisher Date | 2010-08-16 |
| Publisher Place | Germany |
| Access Restriction | Open |
| Subject Keyword | Alkenes Chemistry Alkynes Models, Theoretical Palladium Catalysis Computer Simulation Molecular Structure Research Support, Non-U.S. Gov't |
| Content Type | Text |
| Resource Type | Article |
| Subject | Organic Chemistry Catalysis |
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