Vibrational analysis of 1-chlorohexane

Infrared and Raman spectro of 1-chlorohexane liquid at ambient temperatures have been reported earlier. However, in the absence of normal coordinate c alculations, the assignments of frequencies were only tentative. A detailed analysis and assignment of the vibrational frequencies of the spectra with the aid of normal coordinate calculations for the five probable conformati ons of 1-chlorohexane molecule present in the neat liquid have been reporte d. This has necessitated modifications in many previously suggested assignm ents.