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SH-STRETCHING INTENSITIES AND INTRAMOLECULAR HYDROGEN BONDING IN ALKANETHIOLS

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dc.creator Miller, B. J. en_US
dc.creator Lane, J. R. en_US
dc.creator Sodergren, A. H. en_US
dc.creator Kjaergaard, H. G. en_US
dc.creator Dunn, M. E. en_US
dc.creator Vaida, V. en_US
dc.date.accessioned 2009-07-29T12:58:51Z
dc.date.available 2009-07-29T12:58:51Z
dc.date.issued 2009 en_US
dc.identifier 2009-WG-05 en_US
dc.identifier.uri http://hdl.handle.net/1811/38291
dc.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 en_US
dc.description.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. en_US
dc.language.iso English en_US
dc.title SH-STRETCHING INTENSITIES AND INTRAMOLECULAR HYDROGEN BONDING IN ALKANETHIOLS en_US
dc.type Article en_US