Electronic properties of kekulene |
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| Authors: | D Schweitzer KH Hausser H Vogler F Diederich HA Staab |
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| Institution: | 1. Abt. Molekulare Physik , Max-Planck-Institut , Jahn-Stra?e 29, 6900, Heidelberg, Germany;2. Abt. Organische Chemie , Max-Planck-Institut , Jahn-Stra?e 29, 6900, Heidelberg, Germany |
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| Abstract: | The fluorescence and phosphorescence of kekulene in a host matrix of polycrystalline tetrachlorobenzene are investigated, together with the triplet zero field splitting parameters |D| and |E| obtained by ODMR in zero field. The D value is also calculated within a semi-empirical π-theory and compared with experiment. It could be shown that the triplet state energies of a number of different sites of kekulene in the host matrix and the zero field splitting parameters are related, in first order, by spin orbit interaction. |
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