KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
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AbstractThe 4,7-dithieno-2,1,3-benzothiadiazole (DTBT) moiety and its fluorinated counterpart are important pi-conjugated building blocks in the field of organic electronics. Here we present a combined experimental and theoretical investigation into fundamental properties relating to these two molecular entities and discuss the potential impact on extended π-conjugated materials and their electronic properties. While the fluorinated derivative, in the solid state, packs with a smaller co-facial overlap than DTBT, we report experimental evidence for stronger optical absorption as well as stronger intra- and intermolecular contacts upon fluorination.
CitationOn the Effect of Fluorination of 2,1,3-Benzothiadiazole 2015:150422141205007 The Journal of Organic Chemistry
PublisherAmerican Chemical Society (ACS)
JournalThe Journal of Organic Chemistry
PubMed Central IDPMC4441535
Is Supplemented ByNielsen, C. B., White, A. J. P., & McCulloch, I. (2015). CCDC 1035381: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/cc13rddn
Nielsen, C. B., White, A. J. P., & McCulloch, I. (2015). CCDC 1035382: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/cc13rdfp
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