Abstract
The free jet absorption millimeterwave spectrum of methylthioglycolate has been investigated in the 60–78 GHz frequency range. Doublings due to two large-amplitude motions have been observed and analyzed. The two-minima potential associated with the SH group torsion generate a vibrational spacing Δ01= 18953.0(7) MHz between the O+and O−states of theAsublevel. The spacings between theEandAlevels related to the methyl group internal rotation are ΔAE= 295(2) and 291(3) MHz for the O+and O−states, respectively. Both the thiolic hydrogen and the sulfur atom are largely out of the plane, containing all the remaining heavy atoms. This is also in agreement with the 6-31 G**ab initiocalculations.
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