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}
Journal Article
·
· Journal of Chemical Physics
- 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)
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.
- OSTI ID:
- 22255134
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 6 Vol. 140; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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