Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies.

Quantum chemical calculations are used to investigate the experimentally measured reactivities of cyclic dienes and cycloalkenones in the Diels-Alder reaction. The interaction energies (red) are nearly constant; differences arise in changes in distortion energies of both dienophile (blue) and diene (green; see picture, Ea=activation energy; values in kcal mol-1). Copyright © 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim.

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