抄録
The relative stability of equatorial vs. axial for methyl groups on nitrogens in diprotonated N, N'-dimethylpiperazine was determined from the total energy differences of six possible conformers using the Unrestricted Open Shell SCF-MO INDO Method, and the result was in accord with the observed value of our previous paper obtained from the curve of dielectrometric titration. An equatorial methyl group bonded to the chair form piperazine ring was more stable than that of an axial position by an amount of 1.38 kcal/mol from computer analysis, which was fairly coincident with the observed value of 1.6 kcal/mol obtained from the dielectrometric titration.
