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dc.contributor.authorMiller, Benjamin J.
dc.contributor.authorHoward, Daryl L.
dc.contributor.authorLane, Joseph R.
dc.contributor.authorKjaergaard, Henrik G.
dc.date.accessioned2009-08-24T00:42:36Z
dc.date.available2009-08-24T00:42:36Z
dc.date.issued2009
dc.identifier.citationMiller, 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.urihttps://hdl.handle.net/10289/2859
dc.description.abstractVibrational 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.language.isoen
dc.publisherAmerican Chemical Societyen_NZ
dc.relation.urihttp://pubs.acs.org/doi/abs/10.1021/jp9017162en
dc.subjectchemistryen
dc.subjecttert-butylthiolen
dc.titleSH-Stretching vibrational Spectra of ethanethiol and tert-butylthiolen
dc.typeJournal Articleen
dc.identifier.doi10.1021/jp9017162en
dc.relation.isPartOfJournal of Physical Chemistryen_NZ
pubs.begin-page7576en_NZ
pubs.elements-id34317
pubs.end-page7583en_NZ
pubs.issue26en_NZ
pubs.volume113en_NZ


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