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Abstract
Quantum Chemical Studies on Colour and Stereodynamics of Acyclic Azines. XIV. On the Chromophoric System of the Isomeric Anthraldazines in the Lowest Sp (ππ*) StatesThe chromophoric system of the isomeric anthraldazines have been studied quantumchemically by means of the PPP‐CA and LHM‐CI methods. On the basis of a definite substructure being in analogy to the molecular geometries the electronic Sp(ππ*) states of the isomers can be characterized through the corresponding configurations. Taking into account these results an interpretation of the electronic absorption spectra is presented. The conclusions with respect to the chromophoric system are generalized for this class of compounds.
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