Theoretical calculations of magnetic moments of mono-cyclic conjugated hydrocarbons |
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| Authors: | A Tajiri H Uchimura M Hatano |
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| Institution: | The Chemical Research of Non-aqueous Solutions, Tohoku University, Sendai, Japan |
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| Abstract: | The magnetic moments of excited states of mono-cyclic non-alternant conjugated hydrocarbons with 3-9 carbon atoms were theoretically calculated using wavefunctions determined on the basis of the LCAO MO method. The predicted value is in good agreement with experiment for the tropylium cation. |
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