Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH{sub 2}DOH up to J = 26, K = 11, and o{sub 1}
Abstract
The first theoretical approach aimed at accounting for the energy levels of a non-rigid molecule displaying asymmetric-top asymmetric-frame internal rotation is developed. It is applied to a line position analysis of the high-resolution spectrum of the non-rigid CH{sub 2}DOH molecule and allows us to carry out a global analysis of a data set consisting of already available data and of microwave and far infrared transitions measured in this work. The analysis is restricted to the three lowest lying torsional levels (e{sub 0}, e{sub 1}, and o{sub 1}), to K ⩽ 11, and to J ⩽ 26. For the 8211 fitted lines, the unitless standard deviation is 2.4 and 103 parameters are determined including kinetic energy, hindering potential, and distortion effects parameters.
- Authors:
-
- Laboratoire d'Études Physico-Chimiques, Université Dr. T. Moulay de Saïda, Saïda 20000 (Algeria)
- Laboratoire de Physique des Lasers, Atomes et Molécules, UMR 8523 CNRS - Université Lille I, Bât. P5, 59655 Villeneuve d'Ascq Cedex (France)
- Physikalisch-Chemisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany)
- Publication Date:
- OSTI Identifier:
- 22255134
- Resource Type:
- Journal Article
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Volume: 140; Journal Issue: 6; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ENERGY LEVELS; GLOBAL ANALYSIS; INFRARED SPECTRA; KINETIC ENERGY; METHANOL; ROTATION
Citation Formats
Coudert, L. H., E-mail: laurent.coudert@lisa.u-pec.fr, Zemouli, M., Motiyenko, R. A., Margulès, L., and Klee, S. Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH{sub 2}DOH up to J = 26, K = 11, and o{sub 1}. United States: N. p., 2014.
Web. doi:10.1063/1.4864203.
Coudert, L. H., E-mail: laurent.coudert@lisa.u-pec.fr, Zemouli, M., Motiyenko, R. A., Margulès, L., & Klee, S. Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH{sub 2}DOH up to J = 26, K = 11, and o{sub 1}. United States. https://doi.org/10.1063/1.4864203
Coudert, L. H., E-mail: laurent.coudert@lisa.u-pec.fr, Zemouli, M., Motiyenko, R. A., Margulès, L., and Klee, S. 2014.
"Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH{sub 2}DOH up to J = 26, K = 11, and o{sub 1}". United States. https://doi.org/10.1063/1.4864203.
@article{osti_22255134,
title = {Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH{sub 2}DOH up to J = 26, K = 11, and o{sub 1}},
author = {Coudert, L. H., E-mail: laurent.coudert@lisa.u-pec.fr and Zemouli, M. and Motiyenko, R. A. and Margulès, L. and Klee, S.},
abstractNote = {The first theoretical approach aimed at accounting for the energy levels of a non-rigid molecule displaying asymmetric-top asymmetric-frame internal rotation is developed. It is applied to a line position analysis of the high-resolution spectrum of the non-rigid CH{sub 2}DOH molecule and allows us to carry out a global analysis of a data set consisting of already available data and of microwave and far infrared transitions measured in this work. The analysis is restricted to the three lowest lying torsional levels (e{sub 0}, e{sub 1}, and o{sub 1}), to K ⩽ 11, and to J ⩽ 26. For the 8211 fitted lines, the unitless standard deviation is 2.4 and 103 parameters are determined including kinetic energy, hindering potential, and distortion effects parameters.},
doi = {10.1063/1.4864203},
url = {https://www.osti.gov/biblio/22255134},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 6,
volume = 140,
place = {United States},
year = {Fri Feb 14 00:00:00 EST 2014},
month = {Fri Feb 14 00:00:00 EST 2014}
}