Sh-Stretching Intensities and Intramolecular Hydrogen Bonding in Alkanethiols

Details Sh-Stretching Intensities and Intramolecular Hydrogen Bonding in Alkanethiols Sh-Stretching Intensities and Intramolecular Hydrogen Bonding in Alkanethiols

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confewg05m&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Computer Science

Infrared/Raman

Scientific paper

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.

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