CD3SH (Methyl mercaptan, Methanthiol)


Version 2
Date of Entry April 2022
Contributor K. Kobayashi
Lines Listed 1312(ground state) 818 (ν12=1, torsion)
Frequency / GHz 7-240 GHz
Max J 46
Max K 10
log STR0
log STR1
Isotope Corr.
Egy / (cm-1)
μa / D 1.33 (3)
μb / D 0.71(4)
μc / D
A / MHz 62345(58)
B / MHz 10553.605(18)
C / MHz 10197.776(58)
Q(2000.)
Q(1000.)
Q(500.0)
Q(300.0)
Q(225.0)
Q(150.0) 195587
Q(75.00) 66249
Q(37.50) 23689
Q(18.75) 8478
Q(9.375) 2989
molecular weight/u 51.02219921
References and other information
Listed molecular constants are those for the principal axis system.
Note that the partition function only considered the ground state. Nuclear spin weight of 54 is considered in the calculation of the partition function.
Global analysis of pure-rotational spectra in both the vt = 0 and vt = 1 torsional states of CD3SH, K. Kobayashi, S. Tsunekawa, N. Ohashi, Journal of Molecular Spectroscopy, 385, 111597 (2022) (DOI:10.1016/j.jms.2022.111597).
Microwave spectroscopy of CD3SH in the first torsionally excited state, K. Kobayashi, W. Nakamura, T. Matsushima, S. Tsunekawa, N. Ohashi, Journal of Molecular Structure, 1217, 128339, 7pp (2020) (DOI:10.1016/j.molstruc.2020.128339).
"Microwave spectroscopy of CD3SH in the ground state," K. Kobayashi, W. Nakamura, T. Matsushima, S. Tsunekawa, N. Ohashi, Journal of Molecular Spectroscopy (2017) (DOI:10.1016/j.jms.2017.05.004).

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Kaori Kobayashi (Department of Physics, University of Toyama)
kaori-at-sci.u-toyama.ac.jp (replace -at- with @)
Last update, April. 26th 2022