Overtone Spectra of 2-mercaptoethanol and 1,2-ethanedithiol

B. J. Miller; M. Yekutiel; A. H. Sodergren; D. L. Howard; M. E.  Dunn; V. Vaida; Henrik Grum Kjærgaard

Overtone Spectra of 2-mercaptoethanol and 1,2-ethanedithiol

B. J. Miller, M. Yekutiel, A. H. Sodergren, D. L. Howard, M. E. Dunn, V. Vaida, Henrik Grum Kjærgaard

Department of Chemistry

12 Citations (Scopus)

Abstract

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 2000-11000 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 SH 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.

Original language	English
Journal	Journal of Physical Chemistry A
Volume	114
Pages (from-to)	12692-12700
Publication status	Published - 9 Dec 2010

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title = "Overtone Spectra of 2-mercaptoethanol and 1,2-ethanedithiol",

abstract = "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 2000-11000 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 SH 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.",

author = "Miller, {B. J.} and M. Yekutiel and Sodergren, {A. H.} and Howard, {D. L.} and Dunn, {M. E.} and V. Vaida and Kj{\ae}rgaard, {Henrik Grum}",

year = "2010",

month = dec,

day = "9",

language = "English",

volume = "114",

pages = "12692--12700",

journal = "Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",

issn = "1089-5639",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Overtone Spectra of 2-mercaptoethanol and 1,2-ethanedithiol

AU - Miller, B. J.

AU - Yekutiel, M.

AU - Sodergren, A. H.

AU - Howard, D. L.

AU - Dunn, M. E.

AU - Vaida, V.

AU - Kjærgaard, Henrik Grum

PY - 2010/12/9

Y1 - 2010/12/9

N2 - 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 2000-11000 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 SH 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.

AB - 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 2000-11000 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 SH 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.

M3 - Journal article

SN - 1089-5639

VL - 114

SP - 12692

EP - 12700

JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

ER -

Overtone Spectra of 2-mercaptoethanol and 1,2-ethanedithiol

Abstract

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