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 2000-11,000 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 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.

Rate constants and vibrational distributions for water‐forming reactions of OH and OD radicals with thioacetic acid, 1,2‐ethanedithiol and tert‐butanethiol

“…The rate constant for EDT, k 2 = (3.8 ± 0.7) × 10 −11 cm 3 molecule −1 s −1 , appeared to be in the range of monothiol values, whereas, according to structure–activity relationships, it is expected to be about twice higher than k C2H5SH = (4.2 ± 0.3) × 10 −11 cm 3 molecule −1 s −1 . Owing to the three internal rotations in the molecule, 10 conformers are possible and even these 10 also have degeneracies . The five most stable conformers have the gauche configuration around the C–C bond with relative concentrations ranging from 10 to 31%.…”

“…Owing to the three internal rotations in the molecule, 10 conformers are possible and even these 10 also have degeneracies. [25][26][27][28] The five most…”

Raman spectroscopy of glycolic acid complexes with N2

“…Moreover, the high overtone transitions of the O-H stretching vibrations typically possess larger cross-section than the C-H, S-H, and N-H stretching vibrations. [4][5][6] Thus, the high overtone excitations are more easily accessible for the O-H stretching modes. The vibrational fundamental and the first overtone excitation induced isomerization of glycolic acid has been investigated in argon and nitrogen matrices.…”

High vibrational overtone excitation‐induced conformational isomerization of glycolic acid in solid argon matrix

“…Two functional OH groups in the same molecule opens possibility to selectively study the chemistry of glycolic acid induced by the high overtone excitation of both the alcohol and the carboxyl OH groups. The cross sections of the OH stretching vibrational transitions are typically larger than for the CH, SH, and NH vibrational transitions . Thus, the high vibrational overtone excitation of molecules is possibly more efficiently generated via OH vibrational overtone absorption.…”