title: Effect of fluorination of 2,1,3-benzothiadiazole.
abstract: The 4,7-dithieno-2,1,3-benzothiadiazole (DTBT) moiety and its fluorinated counterpart are important π-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 cofacial overlap smaller than that of DTBT, we report experimental evidence of stronger optical absorption as well as stronger intra- and intermolecular contacts upon fluorination.
authors.affiliation: †Department of Chemistry and Centre for Plastic Electronics, Imperial College London, London SW7 2AZ, United Kingdom.
authors.forename: Christian B
authors.initials: CB
authors.lastname: Nielsen
authors.affiliation: †Department of Chemistry and Centre for Plastic Electronics, Imperial College London, London SW7 2AZ, United Kingdom.
authors.forename: Andrew J P
authors.initials: AJ
authors.lastname: White
authors.affiliation: †Department of Chemistry and Centre for Plastic Electronics, Imperial College London, London SW7 2AZ, United Kingdom.|‡Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.
authors.forename: Iain
authors.initials: I
authors.lastname: McCulloch