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SH-STRETCHING INTENSITIES AND INTRAMOLECULAR HYDROGEN BONDING IN ALKANETHIOLS

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Title: SH-STRETCHING INTENSITIES AND INTRAMOLECULAR HYDROGEN BONDING IN ALKANETHIOLS
Creators: Miller, B. J.; Lane, J. R.; Sodergren, A. H.; Kjaergaard, H. G.; Dunn, M. E.; Vaida, V.
Issue Date: 2009
Publisher: Ohio State University
Abstract: The SH-stretching overtone transitions of tert-butylthiol and ethanethiol are observed using FT-IR, NIR and photoacoustic spectroscopies. The intensities of these are compared with OH-stretching overtones from the corresponding alcohols. We explain the paucity of SH-stretching intensity using an anharmonic oscillator local mode model. SH- and OH-stretching overtone spectra of 1,2-ethanedithiol and 2-mercaptoethanol are recorded to observe the different effects that hydrogen bonding involving SH - - - S, SH - - - O and OH - - - S have on the spectra. We discuss these effects with the help of high level ab initio calculations.
Description: Author Institution: Department of Chemistry, University of Otago, P.O. Box 56, Dunedin, New Zealand; Department of Chemistry and Biochemistry and CIRES, University of Colorado, Campus Box 215, Boulder, CO 80309
URI: http://hdl.handle.net/1811/38291
Other Identifiers: 2009-WG-05
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