Quantum Chemical Study on Colour and Stereodynamics of Acyclic Azines. II. Influence of Twisted S0 Molecular Geometries on the Spectral Behaviour and the Photochromic Effect of Benz‐ and Anthraldazine
On the basis of quantum chemical calculations the influence of twisted molecular geometries on the spectral behaviour of (1E,3E)‐ and (1E,3Z)‐isomers of benz‐ and anthraldazine has been investigated. It is possible to point out structural peculiarities in the S0 state and to explain the photochromic effect of the arylsubstituted acyclic azines.