摘要
Transition state structures for the neutral, cationic and anionic vinylidene-acetylene rearrangement are calculated by ab initio methods. While the barriers for the neutral and cationic H-shift are found to be low or even zero involving a planar structure, rearrangement of the vinylidene anion proceeds with high activation energy possibly via a perpendicular transition state.
| 源语言 | 英语 |
|---|---|
| 页（从-至） | 484-487 |
| 页数 | 4 |
| 期刊 | Chemical Physics Letters |
| 卷 | 100 |
| 期 | 6 |
| DOI | |
| 出版状态 | 已出版 - 30 9月 1983 |
| 已对外发布 | 是 |