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Royal Society of Chemistry, CrystEngComm, 32(16), p. 7389-7392

DOI: 10.1039/c4ce00752b

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Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative

Journal article published in 2014 by Vijay S. Vyas, Rico Gutzler, Jürgen Nuss, Klaus Kern, Bettina V. Lotsch ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The optical gap of the organic semiconductor [1]benzothieno[3,2-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 π-stacked, resulting in a marked shift in the absorption and emission spectra which is found to be in accordance with TDDFT calculations.