Regioselective control of the nickel-mediated coupling of acetylene and carbon dioxide - A DFT study
The nickel-mediated coupling of asymmetric alkynes with carbon dioxide is known to be highly regioselective with respect to the formation of nickelacycle intermediates and α,β-unsaturated carboxylic acid products. Using density functional theory (DFT), we have investigated the effect that parameters...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
Elsevier
2008
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/15784 |
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