Fused thiophenes: an overview of the computational investigations
Fatma Dikcal, Turan Ozturk and M. Emin Cinar
Department of Chemistry, Istanbul Technical University, Maslak, Istanbul 34469, Türkiye
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. ©2016 ACG Publications. All rights reserved.
Keywords: Computation; DFT; fused thiophenes; optoelectronic. © 2017 ACG Publications. All rights reserved.