Item

SH-Stretching vibrational Spectra of ethanethiol and tert-butylthiol

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 0.2 in the fundamental region and 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.
Type
Journal Article
Type of thesis
Series
Citation
Miller, B. J., Howard, D. L., Lane, J. R. & Kjaergaard, H. G. (2009). SH-Stretching vibrational Spectra of ethanethiol and tert-butylthiol. Journal of Physical Chemistry, 113(26), 7576-7583.
Date
2009
Publisher
American Chemical Society
Degree
Supervisors
Rights