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Observation of the pure rotational spectra of trans- and cis-HOCO.

Authors
Type
Published Article
Journal
The Journal of Chemical Physics
0021-9606
Publisher
American Institute of Physics
Publication Date
Volume
134
Issue
17
Pages
174303–174303
Identifiers
DOI: 10.1063/1.3578179
PMID: 21548683
Source
Medline

Abstract

Pure rotational spectra of trans- and cis-HOCO have been observed by Fourier transform microwave spectroscopy and the millimeter-wave double resonance technique, where gas phase spectra of the cis-conformer were observed for the first time. These radicals were produced in a supersonic jet by discharging a mixture gas of CO and H(2)O diluted in Ar. The molecular constants including the fine and hyperfine constants have been precisely determined for both conformers. Deuterated analogs have also been observed. The determined r(0) structures agree with these of ab initio calculations. The Fermi contact constants show a difference of the unpaired electron densities on the protons between the two conformers. Intensity of the spectrum for cis-HOCO was compared with that of trans-HOCO, leading to a conclusion that both conformers were produced nearly equally in abundance under the present experimental conditions.

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