Lille Spectroscopic Database
Code:
L. Coudert's code
| Version | 2026.04 |
| Tag | 33801 |
| Molecule - Descriptor | Methanol, Methyl Alcohol (CH2DOH) - vt=0, 1, 2 |
| Isotope | D |
| Hyperfine | N/A |
| Lines in DB | 15154 |
| Frequency max. (MHz) | 1198933.73524 |
| J max. | 28 |
| Cite these data as | Oyama T., Ohno Y., Tamanai A., Watanabe Y., Yamamoto S., Sakai T., Zeng S., Nakatani R., Sakai N. 2023, ApJ, 957, 4 https://doi.org/10.3847/1538-4357/acf320 ---and--- Coudert L.H., Zemouli M., Motiyenko R.A., Margulès L., Klee S. 2014, J. Chem. Phys., 140, 064307 https://doi.org/10.1063/1.4864203 |
| T(K) | Qt | Qrot | Qvib |
|---|---|---|---|
| 300.0 | 16777.731 | 16777.7307 | 1.0 |
| 225.0 | 9508.060 | 9508.0605 | 1.0 |
| 150.0 | 4385.837 | 4385.8373 | 1.0 |
| 75.0 | 1294.272 | 1294.2724 | 1.0 |
| 37.5 | 399.004 | 399.0043 | 1.0 |
| 18.75 | 114.590 | 114.5904 | 1.0 |
| 9.375 | 30.389 | 30.3887 | 1.0 |
| 5.0 | 9.604 | 9.6035 | 1.0 |
| 2.725 | 3.796 | 3.7958 | 1.0 |
Details: J and K, with 0 ≤ K ≤ J, are the usual rotational quantum numbers corresponding to the total value of the rotational angular momentum and its projection onto the molecule-fixed z axis. p, equal to 1 or 2, is used instead of the usual asymmetric-top rotational quantum number Kc. As stressed in Ref. [1], p is related to the A′ and A″ Cs symmetry of the rotation-torsion level. vt is the torsional quantum number. It is different from that used in molecules with a symmetrical CH3 or CD3 methyl group.
[1] Coudert L. H., Motiyenko R. A., Margulès L., and Tchana Kwabia F. 2021 J. Mol. Spec. 381, 111515. https://doi.org/10.1016/j.jms.2021.111515