✦ LIBER ✦
Band structure of quasi-1-dimensional polycondensed π-systems, 3 energy spectra of anti-aromatic polymers
✍ Scribed by Fritz Dietz; Klaus Müllen; Martin Baumgarten; Nikolai Tyutyulkov
- Publisher
- John Wiley and Sons
- Year
- 1994
- Tongue
- English
- Weight
- 507 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1022-1344
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✦ Synopsis
Abstract
The band structure of a class of quasi 1‐dimensional (1‐D) polymers with anti‐aromatic structural units — anti‐aromatic polymers (AAP) — has been investigated theoretically. The energy gap (EG) of the AAP is significantly smaller compared to the EG of polymers with aromatic building blocks having the same number of π‐centers in the elementary units. The influence of the electron correlation in the calculation of the EG is investigated. As with the anti‐aromatic molecules the Jahn‐Teller distortion influences the geometric configuration of the AAP.