Conformational Analysis of 1,2-Dichlorobutane

Vibrational spectra have been published and normal coordinate calculations have been made for 1,2-dichlorobutane.^1,2 Those calculations were limited to the three conformers that had all four carbon atoms coplanar. Molecular mechanics calculations have now shown a conformer that was omitted to be the second most abundant conformer. Therefore, normal coordinate calculations have been made for this conformer and molecular mechanics calculations have been made for all possible conformers.