✦ LIBER ✦
Spatial extension of the bipolaronic defect in highly conducting polymers based on five-membered aromatic rings
✍ Scribed by Carlos Alemán
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 391 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1022-1344
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
The molecular geometries of neutral and dicationic oligomers comprising 7, 10, 13 and 16 rings of thiophene, furan and pyrrole were determined using quantum mechanical calculations. The usual benzenoid structure was characterized for neutral oligomers, whereas a quinoid structural defect which extends over six rings was found for dications. Analysis of the transition region, where the quinoid structure changes to the benzenoid one, revealed structural differences between thiophene, furan and pyrrole derivatives.