Fused thiophenes: An overview of the computational investigations

Fatma Dikcal; Turan Ozturk; M. Emin Cinar

doi:10.25135/acg.oc.9.17.04.014

Fused thiophenes: An overview of the computational investigations

Fatma Dikcal, Turan Ozturk^*, M. Emin Cinar

^*Corresponding author for this work

Department of Chemistry

Istanbul Technical University

Research output: Contribution to journal › Article › peer-review

15 Citations (Scopus)

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	https://doi.org/10.25135/acg.oc.9.17.04.014
Publication status	Published - 2017

Bibliographical note

Publisher Copyright:
© 2017 ACG Publications.

Keywords

Computation
DFT
Fused thiophenes
Optoelectronic

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10.25135/acg.oc.9.17.04.014

Cite this

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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.",

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Fused thiophenes: An overview of the computational investigations

Abstract

Bibliographical note

Keywords

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