DC(O)OCH3
Methyl formate, deuterated at formate group
Species tag 061526
Version1*
Date of EntryAug. 2022
ContributorH. S. P. Müller

The molecule displays internal rotation of the methyl group. The experimental data were reproduced quite well with the erham program up to 661 GHz; see below for more details. The present analysis is based on the data from
(1) L. Margulès, T. R. Huet, J. Demaison, M. Carvajal, I. Kleiner, H. Møllendal, B. Tercero, N. Marcelino, and J. Cernicharo, 2010, Astrophys. J. 714, 1120.
The analysis takes into account lower frequency data up to 377 GHz mainly from
(2) L. C. Oesterling, D. W. Ferguson, E. Herbst, and F. C. DeLucia, 1995, J. Mol. Spectrosc. 172, 469.
Also included were few rest frequencies from
(3) R. F. Curl, Jr., 1959, J. Chem. Phys. 30, 1529.
Additional higher frequency data, up to 1200 GHz, extending also to higher quantum numbers, were published more recently by
(4) C. Duan, M. Carvajal, S. Yu, J. C. Pearson, B. J. Drouin, and I. Kleiner, 2015, Astron. Astrophys. 576, Art. No. A39.
However, these data could not be included into the fit satisfactorily and were thus omitted. Deficiencies in the erham program or in the knowledge of the contributor are likely explanations. Nevertheless, the calculations should be sufficiently accurate for all observational purposes. Transitions with calculated uncertainties exceeding 0.1 MHz should be viewed with some caution.
Please note that state number 0 and 1 refer to the A and E symmetry components, respectively. This differs slightly from the standard erham notation. Some lines were not merged because of weakness and some because Kc quantum numbers were evaluated incorrectly by the erham program.
The partition function refers to the complete ground vibrational state.
The dipole moment components were determined in (1).

Lines Listed40660
Frequency / GHz< 1000
Max. J80
log STR0-9.0
log STR1-7.0
Isotope Corr. 
Egy / cm–10.0
 µa / D1.643
 µb / D0.748
 µc / D 
 A / MHz18475.678
 B / MHz6768.437
 C / MHz5109.725
 Q(300.0)69476.2347
 Q(225.0)45105.8607
 Q(150.0)24543.7474
 Q(75.00)8677.5859
 Q(37.50)3070.5111
 Q(18.75)1087.8147
 Q(9.375)386.2599
 Q(5.000)151.5998
 Q(2.725)61.8426
detected in ISM/CSMyes


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