Vibrational analyses of 2,4-dichloropentane and 2,4,6-trichloroheptane

Abstract

This study of the vibrational spectra of 2,4-dichloropentane and 2,4,6-trichloroheptane uses normal coordinate calculations as a probe for the presence of different molecular conformers. The calculations use a complete valence force field for secondary chlorides which was developed by fitting the observed vibrational frequencies of model compounds. Observed and calculated frequencies agree well. The results of these calculations on dl and meso 2,4-dichloropentane and on isotactic 2,4,6-trichloroheptane indicate the presence of conformers other than those which are accepted as sterically preferred.