COMPARATIVE ANALYSIS OF THE LOW RESOLUTION MONOBASIC ALCOHOL SPECTRA

Abstract

Low-resolution (LR) spectra of trans- and gosh- conformations of the ethyl alcohol molecule (СН₃СН₂ОН) and the trans-conformation of the deuterated-isopropyl alcohol ((СD₃)₂CDOH) molecule were calculated in the range 0-2 THz using the method of additive modeling of LR spectra by high-resolution microwave spectra. The frequency bands of the spectra of LR were found where the absorption by both molecules is maximal: 660-680 and 1120-1160 GHz for gosh- and trans-conformations of the ethyl alcohol molecule and 480-500 GHz for the trans-conformation of the deuterium-substituted isopropyl alcohol molecule. A comparative analysis of spectral regions in which the maximum absorption occurs was carried out for the molecules of ethanol, n-propanol, isopropanol and deuterated isopropanol. It is concluded that, when going to heavier compounds, the LR spectra maxima shift toward lower frequencies. That is very important for their spectral identification for the purpose of environmental monitoring and production quality control.