Ab initio studies on the mechanism of dimerization reactions of ketene imine and bis(trifluoromethyl)ketene imine |
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Authors: | Xiaoyuan Fu Yan Wang Decai Fang |
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Affiliation: | (1) Department of Chemistry, Beijing Normal University, 100875 Beijing, People's Republic of China, CN |
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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. Received: 15 July 1998 / Accepted 3 September 1998 / Published online: 17 December 1998 |
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Keywords: | : Ab initio calculation Dimerization Ketene imine Bis(trifluoromethyl)ketene imine |
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