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Article Dans Une Revue Journal of Molecular Spectroscopy Année : 2021

The rotation-torsion spectrum of CD2HOH

Le spectre de rotation-torsion de CD2HOH

Résumé

New transitions are reported in the submillimeter wave, terahertz, and far-infrared rotation-torsion spectrum of doubly-deuterated methanol CD 2 HOH. The newly assigned transitions allow us to spectroscopically characterize torsional states with 0 ≤ K ≤ 12 and 0 ≤ v t ≤ 2. Three line position analyses are carried out. In the first one, restricted to rotation-torsion lines involving torsional states with 3 ≤ K ≤ 12 and v t ≤ 2, rotational energies are evaluated with a J(J + 1) Taylor-type expansion for each torsional state. 4853 transitions were accounted for with a unitless standard deviation of 11.4. In the second analysis, 126 torsional subband centers are fitted to obtain refined torsional parameters including the hindering potential. In the third analysis, 5911 rotation-torsion transitions involving torsional states with v t ≤ 2, and J ≤ 26 are reproduced with a unitless standard deviation of 3.2 using a four-dimensional rotation-torsion fitting Hamiltonian.
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Dates et versions

hal-03355095 , version 1 (27-09-2021)

Identifiants

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Laurent H. Coudert, R A Motiyenko, L Margulès, F Kwabia Tchana. The rotation-torsion spectrum of CD2HOH. Journal of Molecular Spectroscopy, 2021, 381, pp.111515. ⟨10.1016/j.jms.2021.111515⟩. ⟨hal-03355095⟩
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