| Autor: |
Wiberg, K. B., Sklenak, S., Bailey, W. F. |
| Zdroj: |
Organometallics; February 2001, Vol. 20 Issue: 4 p771-774, 4p |
| Abstrakt: |
The 10-X-2 ate complexes formed by reaction of vinyllithiums with the corresponding vinyl halides have been studied via B3LYP/6-31++G** geometry optimization. The effect of fluorine substitution on the structures and energies of the both the vinyllithiums and the ate complexes is examined. The results of the calculations indicate that trifluoroethene is 35 kcal/mol more acidic than ethene. The ate complexes generated by reaction of vinyllithium with vinyl bromide or iodide are calculated to be transition states, but the corresponding perfluorinated complexes are found to be minima on the potential energy surface. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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