Bended structures of alkynyl carbocations have been proposed as intermediates in several sigmatropic shift reactions. The presence of this bended structures is striking and, as a matter of fact, any justification of this mechanistic hypothesis has been proposed to our knowledge. In this note some aspects of the bending of the 1,1 dimethyl propargyl carbocation and related acetylenic and allenic structures will be submitted to a quantum chemical analysis. © 1984.
|Journal||Journal of Molecular Structure: THEOCHEM|
|Publication status||Published - 1 Jan 1984|