CD3OD, vt = 0
Methanol, fully deuterated, vt = 0
Species tag 036506
Version1*
Date of EntryNov. 2023
ContributorV. V. Ilyushin
H. S. P. Müller

The entry is based on
(1) V. V. Ilyushin, H. S. P. Müller, J. K. Jørgensen, S. Bauerecker, C. Maul, R. Porohovoi, E. A. Alekseev, O. Dorovskaya, F. Lewen, S. Schlemmer, and R. M. Lees, 2023, Astron. Astrophys. 677, Art. No. A49.
The study combines rotational and rovibrational data pertaining to vt = 0 and 1 plus some low energy K transitions of vt = 2. By far the most data are from this work. A small amount of transitions below 35 GHz are from
(2) R. M. Lees, 1972, J. Chem. Phys. 56, 5887.
Additional millimeter wave data are from
(3) L.-H. Xu, H. S. P. Müller, F. F. S. van der Tak, and S. Thorwirth, 2004, J. Mol. Spectrosc. 228, 220;
(4) O. I. Baskakov and M. A. O. Pashaev, 1992, J. Mol. Spectrosc. 151, 282
;
and from
(5) I. Mukhopadhyay, Y.-B. Duan, and S. Klee, 2004, J. Mol. Struct. 695, 367.
Also included are FIR data from
(6) I. Mukhopadhyay, 2021, Infrared Phys. Technol. 114, Art. No. 103668.
The quantum numbers are J, Ka, Kc, and m. The values 0 and 1 of m correspond to A and E symmetry lines, respectively, of vt = 0. The sign of Ka (with "+" omitted") reflects the parity for A symmetry states and the usual signs of K values in degenerate vibrational states for E symmetry states.
The calculated frequencies should be reliable throughout; some caution is advised for transitions reaching the limit of J (55) or Ka (25).
Please note: There is a spin-statistical weight ratio of 11 : 16 between A and E symmetry states, respectively. Please note also: No experimental lines have been merged in the present entry. The list of experimental lines (with reference labels) can be accessed in the Cologne Spectroscopy Data section. The rotation-torsional part of the partition function is converged. Small contributions by small amplitude vibrations have been considered in the harmonic approximation. Please note the mostly non-standard temperatures.
The dipole moment components were taken from a measurement by
(7) I. Mukhopadhyay, G. R. Sudhakaran, and G. Mellau, 1998, Spectrochim. Acta A 54, 1307;
the remainder of the dipole moment function was taken from
(8) M. A. Mekhtiev, P. D. Godfrey, and J. T.Hougen, 1992, J. Mol. Spectrosc. 194, 171.

Lines Listed17190
Frequency / GHz< 1300
Max. J55
log STR0 
log STR1 
Isotope Corr. 
Egy / cm–10.000 / 1.555
 µa / D0.867*
 µb / D1.430*
 µc / D 
 A / MHz65035.9
 B / MHz18903.5
 C / MHz17940.6
 Q(300.0)283671.88
 Q(290.0)264211.80
 Q(280.0)245513.34
 Q(270.0)227573.29
 Q(260.0)210388.14
 Q(250.0)193954.04
 Q(240.0)178266.76
 Q(230.0)163321.64
 Q(220.0)149113.54
 Q(210.0)135636.76
 Q(200.0)122884.93
 Q(190.0)110850.98
 Q(180.0)99526.97
 Q(170.0)88903.99
 Q(160.0)78971.98
 Q(150.0)69719.58
 Q(140.0)61133.91
 Q(130.0)53200.32
 Q(120.0)45902.14
 Q(110.0)39220.35
 Q(100.0)33133.32
 Q(090.0)27616.48
 Q(080.0)22642.19
 Q(070.0)18179.88
 Q(060.0)14196.95
 Q(050.0)10661.24
 Q(040.0)7546.77
 Q(030.0)4845.30
 Q(020.0)2585.86
 Q(010.0)865.12
detected in ISM/CSMnot yet


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder