Abstract
The gas-phase cycloaddition reactions of ethylene and 1,3-butadiene with the cyclopropylcarbinyl cation to produce the cyclohexyl and cycloocten-5-yl cation, respectively, have been computationally characterized. At levels of theory up to MP2/cc-pVDZ the reactions are quite asynchronous but are concerted (i.e., there is only one transition state prior to formation of the product carbocycles).
| Original language | English (US) |
|---|---|
| Pages (from-to) | 7591-7593 |
| Number of pages | 3 |
| Journal | Journal of Organic Chemistry |
| Volume | 59 |
| Issue number | 25 |
| DOIs | |
| State | Published - Dec 1 1994 |