Vibrational spectra of 1,6-dichlorohexane,n-chloro-, 2-chloro- and 3-chlorohexanes

Abstract

Infrared spectra of 1,6-dichlorohexane have been recorded with an FT-IR spectrometer at ambient temperatures as neat liquid and at liquid N2 temperatures for crystalline thin films. Raman spectra of the compound have been obtained using Ar+ and Kr+ lasers as sources of excitation at ambient temperatures. FT-IR and laser Raman spectra ofn-chlorohexane, 2-chlorohexane and 3-chlorohexane molecules have also been recorded as neat liquids at ambient temperatures. Most of the observed bands of the liquid 1,6-dichlorohexane have been found to correspond to the molecular symmetryC 2h. Crystal phase spectra have been assigned assuming this symmetry for the compound. Vibrational spectra ofn-chloro-, 2-chloro- and 3-chlorohexanes have been assigned assuming Cs as the highest symmetry in the planar configuration of each of these molecules which are found to exist in more than one conformation in the liquid phase.