SH-Stretching vibrational Spectra of ethanethiol and tert-butylthiol
dc.contributor.author | Miller, Benjamin J. | |
dc.contributor.author | Howard, Daryl L. | |
dc.contributor.author | Lane, Joseph R. | |
dc.contributor.author | Kjaergaard, Henrik G. | |
dc.date.accessioned | 2009-08-24T00:42:36Z | |
dc.date.available | 2009-08-24T00:42:36Z | |
dc.date.issued | 2009 | |
dc.description.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. | en |
dc.identifier.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. | en |
dc.identifier.doi | 10.1021/jp9017162 | en |
dc.identifier.uri | https://hdl.handle.net/10289/2859 | |
dc.language.iso | en | |
dc.publisher | American Chemical Society | en_NZ |
dc.relation.isPartOf | Journal of Physical Chemistry | en_NZ |
dc.relation.uri | http://pubs.acs.org/doi/abs/10.1021/jp9017162 | en |
dc.subject | chemistry | en |
dc.subject | tert-butylthiol | en |
dc.title | SH-Stretching vibrational Spectra of ethanethiol and tert-butylthiol | en |
dc.type | Journal Article | en |
pubs.begin-page | 7576 | en_NZ |
pubs.elements-id | 34317 | |
pubs.end-page | 7583 | en_NZ |
pubs.issue | 26 | en_NZ |
pubs.volume | 113 | en_NZ |
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