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  • Title: SH-stretching vibrational spectra of ethanethiol and tert-butylthiol.
    Author: Miller BJ, Howard DL, Lane JR, Kjaergaard HG, Dunn ME, Vaida V.
    Journal: J Phys Chem A; 2009 Jul 02; 113(26):7576-83. PubMed ID: 19432460.
    Abstract:
    Vibrational spectra of vapor-phase ethanethiol and tert-butylthiol have been recorded in the 1000 to 12,000 cm(-1) region. Both the gauche and trans conformers of ethanethiol are observed. The intensities of SH-stretching vibrations are found to be significantly weaker than the equivalent CH-stretching vibrations and the OH-stretching vibrations in the corresponding alcohols. The relative strength of the SH-stretching vibrations in ethanethiol and tert-butylthiol compared with the OH-stretching vibrations in the corresponding alcohols are approximately 0.2 in the fundamental region and approximately 0.03 in the overtone regions. The SH- and OH-stretching intensities have been modeled with an anharmonic oscillator local mode model with ab initio calculated dipole moment functions. The weak nature of SH-stretching transitions is shown to be a result of both low anharmonicity of the vibrational mode and relatively small dipole moment derivatives.
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