Abstract
AbstractTheoretical studies on the reactions of ammonia with ketene and dimethylketene using the MNDO method are reported. The single step addition of ammonia to the olefinic bond of ketenes was found to provide a lower energy‐barrier path than the two step carbonyl addition mechanism. The barrier height was lower in the reaction of keten compared with that of dimethylketene in support of the faster rate of solution phase reactions of aniline and ketenes. The deformation energies of reactants had an overwhelming influence in determining the activation barriers in all the reactions investigated.
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