✦ LIBER ✦
Angular group-induced bond alternation II. The magnitude and the nature of the effect and its application to polynuclear benzenoid systems
✍ Scribed by Sian T. Howard; Tadeusz M. Krygowski; Aarkadiusz Ciesielski; Marcin Wisiorowski
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- French
- Weight
- 688 KB
- Volume
- 54
- Category
- Article
- ISSN
- 0040-4020
No coin nor oath required. For personal study only.
✦ Synopsis
By careful selection of "angular' substituents it is possible to induce sizeable deformations of benzene ring structures, which correspond to bond length alternation. Ab initio calculations are used to explore the range of this effect in 1,3,5-trisubstituted benzenes with 14 different substituents (-