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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}

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:
 [1] ;  [2] ; ;  [3] ;  [4]
  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)
Publication Date:
OSTI Identifier:
22255134
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 6; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
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