Abstract
Computational investigations of fused thiophenes including not only thienothiophene, ditihienothiophene and thienoacene but also other thiophene-fused (hetero)-aromatic rings have been surveyed. The effect of the methods and basis sets applied on promising optoelectronic materials were elaborated. This brief review suggests the best method for the fused thiophenes to be B3LYP functional.
| Original language | English |
|---|---|
| Pages (from-to) | 56-71 |
| Number of pages | 16 |
| Journal | Organic Communications |
| Volume | 10 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 2017 |
Bibliographical note
Publisher Copyright:© 2017 ACG Publications.
Keywords
- Computation
- DFT
- Fused thiophenes
- Optoelectronic
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