✦ LIBER ✦
Ab initio study of formation and structure of double Diels-Alder cycloadduct derived from sequential pericyclic reactions of 2-pyrone with cycloocta-1,5-diene
✍ Scribed by Tamaki Jikyo; Masashi Eto; Kazunobu Harano
- Book ID
- 104208009
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- French
- Weight
- 458 KB
- Volume
- 53
- Category
- Article
- ISSN
- 0040-4020
No coin nor oath required. For personal study only.
✦ Synopsis
Molecular orbital calculations were carried out to interpret the reaction behavior of the formation reaction and structural feature of double Diels-Alder (DDA) adduct derived from three-step sequential pericyclic reactions of 2-pyrone with cycloocta-1,5-diene. The experimental results are correctly predicted by the ab initio calculations at the 3-21G level.