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Infrared Spectra of Gas-Phase 1- and 2-Propenol Isomers
- Source :
- The journal of physical chemistry. A. 121(19)
- Publication Year :
- 2017
-
Abstract
- Fourier transform infrared spectra of isolated 1-propenol and 2-propenol in the gas-phase have been collected in the range of 900–3800 cm–1, and the absolute infrared absorption cross sections reported for the first time. Both cis and trans isomers of 1-propenol were observed with the trans isomer in greater abundance. Syn and anti conformers of both 1- and 2-propenol were also observed, with abundance consistent with thermal population. The FTIR spectrum of the smaller ethenol (vinyl alcohol) was used as a benchmark for our computational results. As a consequence, its spectrum has been partially reassigned resulting in the first report of the anti-ethenol conformer. Electronic structure calculations were used to support our experimental results and assign vibrational modes for the most abundant isomers, syn-trans-1-propenol and syn-2-propenol.
- Subjects :
- education.field_of_study
Vinyl alcohol
010304 chemical physics
Chemistry
Population
Analytical chemistry
Infrared spectroscopy
Electronic structure
010402 general chemistry
01 natural sciences
0104 chemical sciences
chemistry.chemical_compound
Molecular vibration
0103 physical sciences
Physical chemistry
Physical and Theoretical Chemistry
Fourier transform infrared spectroscopy
education
Conformational isomerism
Cis–trans isomerism
Subjects
Details
- ISSN :
- 15205215
- Volume :
- 121
- Issue :
- 19
- Database :
- OpenAIRE
- Journal :
- The journal of physical chemistry. A
- Accession number :
- edsair.doi.dedup.....5bf362c604876604cd6643b36d21c624