Ring Inversion and Bond Shift in Cyclooctatetraene Derivatives
β Scribed by Anet, F. A. L.; Bourn, A. J. R.; Lin, Y. S.
- Book ID
- 125526546
- Publisher
- American Chemical Society
- Year
- 1964
- Tongue
- English
- Weight
- 256 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The free energies of activation for bond shift in fluoro-, chloro-, bromo-ad iodocyclocxtatetraencin THF-d8weredeterminedby 13CNMR spectroscopyto lx 12.7, 15.0, 15.4 sad 16.1 kcal/mol, respectively, at 298 K. Anafysis of HF/6-31G\*-op!imizedgeomcuies and natural atomicchargesfor the groundstate and
## Abstract The present study of the cyclooctatetraene potential energy surface shows the presence of a bifurcation (valley ridge inflection point) in the intrinsic reaction coordinate path between the two transition states of D~8h~ and D~4h~ symmetries. This result is of capital importance for the