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A theoretical study of electrophilic reactions

Authors:	Pietro Cremaschi Massimo Simonetta

Affiliation:	(1) C.N.R. Centre and Physical Chemistry Institute of the University of Milan, Via Golgi, 19, I-20133 Milan, Italy

Abstract:	The electronic structures of protonated formyl and acetylium cations and their deprotonation paths leading to HCO⁺, COH⁺ and CH₃CO⁺have been studied by means of ab initio calculations. The results support Olah's theory that dipositive species can be the de facto reagents in electrophilic reactions.

Keywords:	Protoformyl, electronic structure of /content/w8112g2698038712/xxlarge8764.gif" alt=" sim" align=" MIDDLE" BORDER=" 0" > Protoacetylium dication, electronic structure of /content/w8112g2698038712/xxlarge8764.gif" alt=" sim" align=" MIDDLE" BORDER=" 0" >
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