Published February 14, 2014
| Version v1
Journal article
Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH2DOH up to J = 26, K = 11, and o1
- 1. Laboratoire Inter-universitaire des Systèmes Atmosphériques, UMR 7583 du CNRS, Universités Paris Est Créteil et Paris Diderot, 61 Avenue du Général de Gaulle, 94010 Créteil Cedex (France)
- 2. Laboratoire d'Études Physico-Chimiques, Université Dr. T. Moulay de Saïda, Saïda 20000 (Algeria)
- 3. Laboratoire de Physique des Lasers, Atomes et Molécules, UMR 8523 CNRS - Université Lille I, Bât. P5, 59655 Villeneuve d'Ascq Cedex (France)
- 4. Physikalisch-Chemisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany)
Description
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 CH2DOH 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 (e0, e1, and o1), 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
Additional details
Identifiers
- DOI
- 10.1063/1.4864203;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 140
- Journal Issue
- 6
- Journal Page Range
- p. 064307-064307.8
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 45076328
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ENERGY LEVELS; GLOBAL ANALYSIS; INFRARED SPECTRA; KINETIC ENERGY; METHANOL; ROTATION
- Descriptors DEC
- ALCOHOLS; ENERGY; HYDROXY COMPOUNDS; MATHEMATICS; MOTION; ORGANIC COMPOUNDS; SPECTRA
Optional Information
- Notes
- (c) 2014 AIP Publishing LLC