Molek�lgeometrie und angeregte Elektronenzust�nde. XXIV. Theoretischer Beitrag zur S0 und S1-Molek�lstruktur und zum elektronischen Sp? S0-Spektralverhalten des 1,4-Distyryl-benzols und seiner doppelt-geladenen Ionen

Abstract

Molecular Geometry and Excited Electronic States. XXIV. Theoretical Contribution to the S0 and S1 Molecular Structure and to the Sp ← S0 Electronic Spectral Behaviour of 1,4‐Distyryl Benzene an of its Doubly‐Charged Ions For selected configurations of 1,4‐distyryl benzene and its doubly‐charged ions the completely‐optimized molecular geometries of the S0 and S1 states are presented. The structural peculiarities and differences are discussed. The Sp ← S0 electronic spectral data calculated on this basis are given and compared with available experimental results.