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Vyas, Vijay S.; Gutzler, Rico; Nuss, Juergen; Kern, Klaus; Lotsch, Bettina V. (14. May 2014): Optical gap in herringbone and pi-stacked crystals of 1]benzothieno3,2-b]benzothiophene and its brominated derivative. In: ChrystEngComm, Vol. 16, No. 32: pp. 7389-7392




The optical gap of the organic semiconductor 1]benzothieno3,2-b]benzothiophene and its 2,7-dibrominated analogue is measured in solution and in the crystalline state by means of UV-vis and emission spectroscopy. Bromination leads to a change in molecular packing from herringbone to pi-stacked, resulting in a marked shift in the absorption and emission spectra which is found to be in accordance with TDDFT calculations.