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

Kemisk Institut

12 Citationer (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.

Originalsprog	Engelsk
Tidsskrift	Journal of Physical Chemistry A
Vol/bind	114
Sider (fra-til)	12692-12700
Status	Udgivet - 9 dec. 2010

Citationsformater

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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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Citationsformater