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A systematic computational study of four-membered cyclic ketene –O,O–, –O,S–, –O,N–, –S,N– and –N,N-acetals as well as their protonated analogs have been performed at the second order Möller Plesset level with a polarized triple zeta basis set. The main purpose of this study was to make predictions about the nucleophilicity of these systems and the variations in nucleophilicity with the hetero atoms...
Cyclic ketene acetals are a class of organic molecules characterized by a nucleophilic exo-methylene carbon attached to a carbon with two adjacent O, N, or S atoms. We have carried out a systematic computational study of a series of five-membered cyclic acetals like 2-methylene-1,3-dioxolane and its OS, SS, NO, NS, and NN analogs as well as all the protonated species. The calculations were performed...
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