Title :

Le spectre de rotation-torsion de CD2HOH

Author(s) :

Coudert, L [Auteur]
Institut des Sciences Moléculaires d'Orsay [ISMO]
Motiyenko, R [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Margulès, L [Auteur]
Physique Moléculaire aux Interfaces [PMI]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Kwabia Tchana, F [Auteur]
Laboratoire Interuniversitaire des Systèmes Atmosphériques [LISA (UMR_7583)]

Journal title :

Journal of Molecular Spectroscopy

Pages :

111515

Publisher :

Elsevier

Publication date :

2021

ISSN :

0022-2852

English keyword(s) :

CD2HOH
internal rotation
rotation-torsion
asymmetrical methyl group
hindering potential
line-position analysis
submillimeter wave
terahertz
far-infrared
4-dimensional model

HAL domain(s) :

Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
Physique [physics]/Physique Quantique [quant-ph]

English abstract : [en]

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 ...
Show more >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.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Collections :

• Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL