Abstract.
The dimerization reactions of ketene imine and bis(trifluoromethyl)ketene imine were studied theoretically. All the dimerization processes take place in a concerted but asynchronous manner, each proceeding through a four-membered ring transition state. For the ketene imine dimerization reactions, three different processes have almost equal activation barriers, while for the three bis(trifluoromethyl)ketene imine dimerization processes the reaction giving symmetrical a four-membered heterocyclic product has the lowest activation barrier.
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Received: 15 July 1998 / Accepted 3 September 1998 / Published online: 17 December 1998
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Fu, X., Wang, Y. & Fang, D. Ab initio studies on the mechanism of dimerization reactions of ketene imine and bis(trifluoromethyl)ketene imine. Theor Chem Acc 102, 87–91 (1999). https://doi.org/10.1007/s002140050476
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DOI: https://doi.org/10.1007/s002140050476