THEORETICAL MODELS OF THE LOW RESOLUTION MICROWAVE ROTATIONAL SPECTRA OF ETHANETHIOL AND PROPANETHIOL MOLECULES

Abstract

Within the framework of the method of additive modeling of the low resolution microwave spectra of the heteroisomeric molecules of substituted hydrocarbons, the theoretical models of low resolution microwave spectra of ethanethiol and propanethiol molecules were produced for the 0-2 THz frequency range with spectral maximums at 465±20 and 240±20 GHz, respectively. More precise calculations at the narrow frequency band of the above-mentioned frequency ranges were provided using the spectral line half-width values 1.5, 0.8, and 0.5 МHz, modeling the conditions of different layers of the Earth’s troposphere. This permitted to specify the most intensive generating extrema of the low resolution spectra of the investigated species of ethanethiol and propanethiol as 486±5, 446±5, 436±5 and 257±5, 239±5, 234±5 GHz, respectively. The different aspects of the application of the obtained results were discussed.