Aromaticity and Diatropicity of Polyacenequinododimethides |
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| Authors: | Jun‐ichi Aihara Prof. Dr. Masakazu Makino Prof. Dr. |
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| Affiliation: | 1. Institute for Environmental Sciences, University of Shizuoka, Yada, Shizuoka 422‐8526, Japan;2. Department of Chemistry, Faculty of Science, Shizuoka University, Oya, Shizuoka 422‐8529, Japan, Fax: (+81) 54‐237‐3384 |
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| Abstract: | Typical polyacenequinododimethides exist only in a single classical structure. These hydrocarbons are moderately aromatic and diatropic, although they have no aromatic conjugated circuits. This apparent dichotomy was resolved with our graph theory of aromaticity and magnetotropicity. Many nonconjugated circuits were found to contribute collectively to aromaticity and diatropicity. For individual molecules, local aromaticity increases with distance from the exo‐methylene groups. This fact indicates that the conjugated‐circuit model is not always applicable to semibenzenoid hydrocarbons such as polyacenequinododimethides. |
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| Keywords: | aromaticity magnetic properties polyacenequinododimethides polyacenes ring currents |
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