Correlations between the ground state and the triplet state character orders of 
benzenoid hydrocarbons

Bräuchle, Chr.; Voitländer, J.; Vogler, Helmut

doi:10.1515/zna-1981-0620

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Correlations between the ground state and the triplet state character orders of benzenoid hydrocarbons

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Vogler, Helmut
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Bräuchle, C., Voitländer, J., & Vogler, H. (1981). Correlations between the ground state and the triplet state character orders of benzenoid hydrocarbons. Zeitschrift für Naturforschung, A: Physical Sciences, 36(6), 651-653. doi:10.1515/zna-1981-0620.

Cite as: https://hdl.handle.net/21.11116/0000-0004-E23B-B

Abstract

The relative localization of the n-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