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The Alkylidenphthalan–1-Alkylisobenzofuran Equilibrium: A Computational Study

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Abstract

Semiempirical (AM1, PM3) and density functional theoretical studies (B3LYP/6-31G*) are reported for the tautomerism of 2-methylidene-2,5-dihydrofurans (3a–e) and the corresponding 2-methylfurans (4a–e) and of benzannulated derivatives (5a–e, 6a–e, 7–14).

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  1. Institute of Organic Chemistry, University of Kiel, D-24098, Kiel, Germany

    Willy Friedrichsen

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Friedrichsen, W. The Alkylidenphthalan–1-Alkylisobenzofuran Equilibrium: A Computational Study. Structural Chemistry 10, 47–52 (1999). https://doi.org/10.1023/A:1022070012294

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