## Abstract Poly(fluorene)βtype materials are widely used in polymerβbased emitting devices. During operation there appears, however, an additional emission peak at around 2.3 eV, leading to both a color instability and reduced efficiency. The incorporation of the carbazole units has been proven to
Theoretical Studies on the Electronic and Optical Properties of a New Class of Aromatic Oligomers and Polymers
β Scribed by Lei-Jiao LI; Ji-Kang FENG; Ai-Min REN; Wei-Quan TIAN
- Publisher
- John Wiley and Sons
- Year
- 2008
- Tongue
- English
- Weight
- 406 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0256-7660
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π SIMILAR VOLUMES
Molecular orbital calculations are reported on the structure and electronic properties of diphenyl sulfide using both semiempirical and ab initio methods. Neither the MNDO nor AM1 methods give satisfactory structures, but better results are obtained with the PM3 method. At the ab initio level, the 4
## Abstract AM1 semiβempirical method was used to optimize the barbituric acid derivatives substituted with glucosyl **B**~1β5~(series **B**), and the thiobarbituric acid derivatives substituted with glucosyl **T**~1β5~ (series**T**). Based on the optimized structures, INDO/CI method was adopted to