Abstract
Abstract The electronic transitions in the UV/VIS range of liquid crystals and stilbene dyes, which are of commercial and applicational interest, have been studied theoretically by a semi-empirical INDO (intermediate neglect of differential overlap) CI (configuration interaction) approach. Experimentally obtained polarized UV/VIS spectra of the systems investigated can be reproduced with reliable accuracy by the theoretical model. Measured and calculated π-π∗ transitions differ frequently by less than 30 nm. The main absorption bands are strongly polarized parallel to the principal molecular axis.
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