C2H3SH observed experimental transitions

Experimental investigations were supported by quantum chemical calculations on the energetics of both the [C_2_,H_4_,S] and [C_2_,H_4_,O] isomeric families. Interstellar searches for both syn and anti vinyl mercaptan as well as vinyl alcohol were performed in the EMoCA spectral line survey carried out toward Sgr B2(N2) with ALMA. Results.

Highly accurate experimental frequencies (to better than 100kHz accuracy) for both syn and anti isomers of vinyl mercaptan are measured up to 250GHz; these deviate considerably from predictions based on extrapolation of previous microwave measurements. Reliable frequency predictions of the astronomically most interesting millimeter-wave lines for these two species can now be derived from the best-fit spectroscopic constants.

From the energetic investigations, the four lowest singlet isomers of the [C2,H4,S] family are calculated to be nearly isoenergetic, which makes this family a fairly unique test bed for assessing possible reaction pathways. Upper limits for the column density of syn and anti vinyl mercaptan are derived toward the extremely molecule-rich star-forming region Sgr B2(N2) enabling comparison with selected complex organic molecules.