4.6 Article

Overtone Spectra of 2-Mercaptoethanol and 1,2-Ethanedithiol

Journal

JOURNAL OF PHYSICAL CHEMISTRY A
Volume 114, Issue 48, Pages 12692-12700

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jp9112798

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Funding

  1. NASA
  2. NSF
  3. Marsden Fund

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Vibrational spectra of vapor-phase 1,2-ethanedithiol and 2-mercaptoethanol were recorded to investigate weak intramolecular interactions. The spectra were recorded with conventional absorption spectroscopy and laser photoacoustic spectroscopy in the 2000-11 000 cm(-1) region. The room temperature spectra of each molecule are complicated by contributions from several conformers. Anharmonic oscillator local-mode calculations of the OH- and SH-stretching transitions have been performed to facilitate assignment of the different conformers in the spectra. We observe evidence of hydrogen-bond-like interactions from OH to S, but not from SFI to O or S. The OH to S intramolecular interaction in 2-mercaptoethanol is weak and comparable to that found in the OH to O interaction in ethylene glycol.

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