Anabinitiotype SCF MO study using a double zeta quality basis set has been carried out on the formylmethylenendash;ketene rearrangement reaction which is the last step of the Wolff rearrangementndash;decomposition sequence of agr;hyphen;diazoketones and agr;hyphen;diazoesters. The ketene structure is computed to be 74.3 kcal/mole more stable than the isomeric formylmethylene and the reaction features a computed activation energy of 5.7 kcal/mole, corresponding to a bridged activated complex. The computed geometry of the ketene molecule is in good agreement with the experimental geometry.
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