✦ LIBER ✦
The role of σ and π stabilization in benzene, allyl cation and allyl anion. A canonical orbital energy derivative study
✍ Scribed by Alberto Gobbi; Yukio Yamaguchi; Gernot Frenking; Henry F. Schaefer III
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 347 KB
- Volume
- 244
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
The orbital energy second derivatives with respect to the CC asymmetric stretching mode of benzene, allyl cation and allyl anion show unambigiously that the ~r orbitals are unstable with respect to a distorted geometry with alternating CC bonds. It is the cr frame which enforces the D6h form of benzene and the C2v form of the allyl cation and allyl anion.