Abstract
AbstractThe geometry and the π‐electronic structure of 6,7‐dimethyl‐3‐oxabicyclo[3.2.0]hepta‐1,4,6‐triene (4) is analyzed by MNDO calculations and by the interpretation of the He‐I‐photo‐electron spectrum. The calculated bond length alternations in 4 indicate olefinic resp. antiaromatic character. As HOMO and LUMO of 4 are mainly localized in the double bond of the cyclobutene subunit, electrophilic and nucleophilic reactions should occur at this bond. From the HOMO IP of 7.82 eV a high degree of nucleophilic character is to be expected.
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