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2017
DOI: 10.25135/acg.oc.9.17.04.014
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Fused thiophenes: an overview of the computational investigations

Abstract: 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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Cited by 14 publications
(4 citation statements)
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“…The construction of the C-S bond is one the most significant transformations in modern organic synthesis, as molecules containing the C-S bond are mostly found in abundance in biomolecules, pharmaceutical drugs, 104 dyes 105 and many more significant materials. Drugs like vortioxetine 106,107 (antidepressant), sertaconazole 108 (anti-fungal) and organic semiconductors like BTBT, DNT 109 are also important sulphur-containing compounds.…”
Section: C-s Bond Formationmentioning
confidence: 99%
“…The construction of the C-S bond is one the most significant transformations in modern organic synthesis, as molecules containing the C-S bond are mostly found in abundance in biomolecules, pharmaceutical drugs, 104 dyes 105 and many more significant materials. Drugs like vortioxetine 106,107 (antidepressant), sertaconazole 108 (anti-fungal) and organic semiconductors like BTBT, DNT 109 are also important sulphur-containing compounds.…”
Section: C-s Bond Formationmentioning
confidence: 99%
“…Fused thiophene units are one of the most popular building blocks utilized in organic π-conjugated materials [ 84 , 85 , 86 ]. The first potential application in OLEDs was achieved using dithienothiophene (DTT) as an electron donor with triarylborane terminal groups ( 61 ) in 2005 by Mazzeo et al ( Figure 10 ) [ 87 ].…”
Section: Triarylborane-based Small Molecules/oligomersmentioning
confidence: 99%
“…In recent years, fused thiophene systems for instance thienothiophene (two annulated units of thiohpene), DTT (three fused subunits of thiophene), and thienoacenes (more than three annulated units of thiophene) are being found more compatible in tuning the band gap, and display diverse potential applications ranging from the OLEDs, OFETs, solar cells, organic dyes, uorescent probes, to the chalcogen bonded cascades etc. [18][19][20][21][22][23][24][25][26][27][28] Among the fused thiophene systems, dithieno[3,2-b:2 ′ ,3 ′ -d]thiophene 2 and its congeners have fully-edged due to their inimitable architecture, which can be treated as sulfur atom bridging 2,2 ′ -bithiophenes 1, consisting one of the sulfur atom (central one) pointing in the opposite direction to that of the other two peripheral ones (Fig. 1).…”
Section: Introductionmentioning
confidence: 99%