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Correlations between the Ground State and the Triplet State Character Orders of Benzenoid Hydrocarbons

Chr. Brauchte and J. Voitlander
Institut für Physikalische Chemie der Universität München
and H. Vogler
MPI für Medizinische Forschung, Abteilung Organische Chemie,
Heidelberg
Z. Naturforsch. *6«, 651-653 (1981);

[received April 25, 1981]

The relative localization of the ^-conjugation of benzenoid hydrocarbons in the ground state So and the lowest excited triplet state Ti is described by means of character orders. For molecules with the same unmber of electron sextets a linear correlation could be found between the mean character orders of So and Ti indicating the similarities in the electron distribution of these states. The relevance of this similarity for an earlier explanation of the zero-field splitting in Ti is given.

Recently we have developed a concept [1] to